TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
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   -5.2361  -13.4889    0.0000 C   0  0
   -5.2358  -11.9881    0.0000 C   0  0
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    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5793    0.0316    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
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   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
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  4  5  1  0
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 10 11  1  0
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 12 13  1  0
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 17 19  1  0
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M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13372

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
Vitamin E

> <ctcr_id>
1544

> <supplier_cmpd_id>
T1648

> <smiles>
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1

> <pd_targets>
{MAPT,TTPA,KMT2A,MEN1,GSTP1,LMNA,CAT}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Enzyme,"Other nuclear protein",Reader,Transferase,Oxidoreductase,Bromodomain}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of vitamins and cofactors","Biological oxidations",Mitotic,"RNA Polym
erase II Transcription","Metabolism of fat-soluble vitamins","Phase II - Conjugation of compounds","M Phase","Generic Transcription Pathway","Vitamin E","Glutathione conjugation","Mitotic Metaphase an
d Anaphase","FOXO-mediated transcription","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear 
Envelope (NE) Reformation"}

> <broad_targets>
{ALOX5,DGKA,NR1I2,PPP2CA,PPP2CB,PRKCA,PRKCB,SEC14L2,SEC14L3,SEC14L4}

> <broad_moa>
{"LDL oxidation inhibitor","PKC inhibitor"}

> <synonyms>
{LPHATOCHOPHERO,DL-ALPHA-TOCOPHEROL,DLALPHATOCOPHEROL,10191-41-0,10191410,"VITAMIN E",alpha-tochopherol,alphatochopherol,all-rac-alpha-Tocopherol,allracalphaTocopherol,(+-)-alpha-Tocopherol,(+)alphaTo
copherol,UNII-7QWA1RIO01,UNII7QWA1RIO01,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol","2,5,7,8tetramethyl2(4,8,12trimethyltridecyl)3,4dihydrochromen6ol",7QWA1RIO01,CHEMBL4
9563,.alpha.-Tocophe,.alpha.Tocophe,T1648,TMA2394,310039,"Vitamin E",DL-±-Tocopherol,alpha-TOCHOPHEROL}

> <pdid>
PD001954

> <targets>
{}

> <classes>
{"vitamin E"}

> <pubchem_cids>
{2116}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -3.8972    5.2500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 18 21  1  0
 21  4  2  0
 21 22  1  0
 22  8  1  0
 22 14  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13373

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
Ellagic acid

> <ctcr_id>
1995

> <supplier_cmpd_id>
T0465

> <smiles>
Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34

> <pd_targets>
{SYK,SQLE,CA7,CA14,LYN,POLH,ATG4B,HSPA1A,TEK,HSD17B10,APP,KDM4E,THRB,HPGD,IMPA1,BLM,GSTP1,CSNK2A1,CSNK2A2,CSNK2B,TDP1,MAPT,MAPK1,ALD,PRKACA,PRKACB,PRKACG,GSK3B,CA12,RECQL,EPHX2,FGR,CA2,CA3,CA4,CA6,CA9
,SRC,POLI,MAP3K8,ELAVL3,DUSP6,FFP,ATM,GSR,MAOA,GAPDH,APEX1,TPT1,CYP2C19,GAA,CYP2C9,GST,HBB,RORC,SMAD3,AMPC,POLB,AKR1B1,CA13,CA5B,DUSP3,HSPA8,CA1,AOX1,MIF,USP2,KMT2A,ALDOA,TP53,POL,LMNA,BACE1,MEN1,LEF,
TXNRD1,TXNRD2,TXNRD3,ALOX15,CARM1,CA5A,EIF4G1,MCL1,EPHB4,IGF1R,GALNT2,AKT1,NUAK1,BRAF,GPR35,SLC22A6,AURKB,CCND1,CDK4,EGFR,FLT4,CCNA1,CCNA2,CDK2,ERBB2,PLK1,AURKA,KDR,MET,PDGFRB,TSNAX,PTK2,INSR,PLK4,PRK
CA,PRKCB}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein","Secreted protein","Other nuclear protein",Transporter,Kinase,Oxidoreductase,
Lyase,Protease,Transferase,Eraser,"Nuclear receptor",Hydrolase,Phosphatase,"Cytochrome P450",Isomerase,Reader,Writer,"Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase
","Cysteine protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Serine protease","Protein Phosphatase","Cytochrome P450 family 2",Bromodomain,"Aspartic protease","Metallo protease",
"Protein methyltransferase","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","TK protein kinase group","Cysteine protease CA clan","Jumonji domain-containing","Nuclear ho
rmone receptor subfamily 1 group A","Other protein kinase group","CMGC protein kinase group","AGC protein kinase group","Serine protease SC clan","STE protein kinase group","Serine/threonine/tyrosine 
protein phosphatase","Atypical protein kinase group","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Aspartic protease AA clan","Metallo protease MAE clan","Protein arginin
e methyltransferase","CAMK protein kinase group","TKL protein kinase group","Carboxylic acid receptor","SLC22 family of organic cation and anion transporters","Tyrosine protein kinase Syk family","Cys
teine protease C1A family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tie family","Nuclear hormone receptor subfamily 1 group A member 2","Other protein kinase CK2 family","CMGC pro
tein kinase MAPK family","AGC protein kinase PKA family","CMGC protein kinase GSK family","Serine protease S33 family","STE protein kinase STE11 family","Atypical protein kinase PIKK family","Cytochro
me P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C19 family","Aspartic protease A1A subfamily","Metallo protease M34 family","Tyrosine pro
tein kinase Eph family","Tyrosine protein kinase InsR family","AGC protein kinase AKT family","CAMK protein kinase CAMK1 family","TKL protein kinase RAF family","Kynurenic acid receptor","Other protei
n kinase AUR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase PLK family","Tyrosine protein kinase Met family
","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Fak family","AGC protein kinase PKC family","CMGC protein kinase ERK1","CAMK protein kinase NuaK subfamily","CMGC protein kinase CDC2 
subfamily","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Catalytic receptors","Lanosterol biosynthesis pathway","Carbonic anhydrases","Peptidases and proteinases","Heat shock proteins","Chromatin modi
fying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Inositol phosphate turnover","Kinases (EC 2.7.x.x)",Hydrolases,"1.-.-.- Oxidoreductases","Catecholamine turnover","Cytochrome P450","3
.2.1.- Glycosidases","L-Arginine turnover","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","SLC superfamily of solute carriers","Receptor kinases","CA: Cysteine (C) Peptidases
","1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","Prostaglandin synthases","Inositol monophosphatase","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 
7","Sterile 11","Sterile 20 kinases",Atypical,"CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","AA: Aspartic (A) Peptidases",Lip
oxygenases,"2.1.1.- Protein arginine N-methyltransferases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Orphan and other 7TM receptors","SLC22 family 
of organic cation and anion transporters","TK: Tyrosine kinase","C54: Aut2 peptidase","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","Other protein kinases",
"STE-unique family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","C19: Ubiquitin-specific protease","A1: Pepsin","Protein kinase A (PKA) family","Akt (Protein kinase B","PKB) family
","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Class A Orphans","Organic anion transporters (OATs)","Protein kinase C (PKC) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosin
e kinases (RTKs)","ERK subfamily","GSK subfamily","Casein kinase 2 (CK2) family","Other PIKK family kinases","NuaK subfamily","RAF family","Aurora kinase (Aur) family","Polo-like kinase (PLK) family",
"Delta subfamily","Alpha subfamily","Syk family","Src family","Type XII RTKs: TIE family of angiopoietin receptors","Type XIII RTKs: Ephrin receptor family","Type II RTKs: Insulin receptor family","Ty
pe I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type
 III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Fak family"}

> <pathway_reactome>
{Disease,Metabolism,"DNA Repair",Autophagy,"Cellular responses to external stimuli","Signal Transduction","Immune System","Metabolism of proteins","Neuronal System","Gene expression (Transcription)","
Transport of small molecules","Cell Cycle",Hemostasis,"Developmental Biology","Vesicle-mediated transport","Infectious disease","Metabolism of lipids","Reversible hydration of carbon dioxide","DNA Dou
ble-Strand Break Repair",Macroautophagy,"Cellular responses to stress","MAPK family signaling cascades","Metabolism of amino acids and derivatives","Innate Immune System","Post-translational protein m
odification","Inositol phosphate metabolism","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes","Signaling by Receptor 
Tyrosine Kinases","DNA Damage Bypass","Cytokine Signaling in Immune system","Cell Cycle Checkpoints","Metabolism of carbohydrates","Base Excision Repair","Diseases of metabolism","Diseases of signal t
ransduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation",Mitotic,"Amyloid fiber formation",Translation,"Ne
rvous system development","Membrane Trafficking","Signaling by GPCR","SLC-mediated transmembrane transport","Intracellular signaling by second messengers","Gene Silencing by RNA","Leishmania infection
","Metabolism of steroids","Homology Directed Repair","Cellular response to heat stress","MAPK1/MAPK3 signaling","Branched-chain amino acid catabolism","Toll-like Receptor Cascades",SUMOylation,"Biosy
nthesis of specialized proresolving mediators (SPMs)","Synthesis of IP2",IP,"and Ins in the cytosol","Phase II - Conjugation of compounds","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptor
s and postsynaptic signal transmission","SARS-CoV Infections","Generic Transcription Pathway","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Signaling by NTRK
s","Translesion synthesis by Y family DNA polymerases bypasses lesions on DNA template","Signaling by Interleukins","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","Glucose me
tabolism","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","Neutrophil degranulation","Signaling by TGF-beta Receptor Complex in Cancer","Metabolism of water-soluble vitam
ins and cofactors","Response to elevated platelet cytosolic Ca2+","M Phase","Uptake and actions of bacterial toxins","Eukaryotic Translation Initiation","Mitotic G2-G2/M phases","Axon guidance","Signa
ling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amine c
ompounds","GPCR downstream signalling","Signaling by VEGF","PIP3 activates AKT signaling","Small interfering RNA (siRNA) biogenesis","Leishmania parasite growth and survival","Regulation of cholestero
l biosynthesis by SREBP (SREBF)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HSF1-dependent transactivation","RAF/MAP kinase cascade","Toll Like Receptor 5 (TLR5) Ca
scade","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","Glutathione conjugation","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Transcrip
tional Regulation by TP53","Regulation of gene expression by Hypoxia-inducible Factor","Signaling by NTRK1 (TRKA)","Termination of translesion DNA synthesis","Interleukin-1 family signaling","p53-Depe
ndent G1/S DNA damage checkpoint","Amine Oxidase reactions",Gluconeogenesis,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Cytochrome P450 - arranged by substrate type
","Glycogen storage diseases","Transcriptional regulation by RUNX3","Loss of Function of SMAD2/3 in Cancer","Metabolism of steroid hormones","Interleukin-12 family signaling","Vitamins B6 activation t
o pyridoxal phosphate","Transcriptional regulation by RUNX1","Platelet degranulation","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Biosynthesis of DPA-derived SPMs","Cap-d
ependent Translation Initiation","G2/M Transition","Interleukin-4 and Interleukin-13 signaling","EPH-Ephrin signaling","IGF1R signaling cascade","Golgi-to-ER retrograde transport","Class A/1 (Rhodopsi
n-like receptors)","Organic cation/anion/zwitterion transport","G alpha (q) signalling events","VEGF ligand-receptor interactions","Semaphorin interactions","VEGFA-VEGFR2 Pathway","Negative regulation
 of the PI3K/AKT network","Parasite infection","G alpha (i) signalling events","Mitotic Prophase","Anti-inflammatory response favouring Leishmania parasite infection","Activation of gene expression by
 SREBF (SREBP)","HDR through Homologous Recombination (HRR)","Attenuation phase","MyD88 cascade initiated on plasma membrane","SUMOylation of intracellular receptors","Biosynthesis of D-series resolvi
ns","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of maresins","Regulation of TP53 Activity","Signalling to ERKs","Interleukin-1 signaling","p5
3-Dependent G1 DNA Damage Response","TP53 Regulates Metabolic Genes","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","PCNA-Dependent Long Patch Base Excision Repair",Xenobio
tics,"Glycogen storage disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","SMAD2/3 MH2 Domain Mutants in Cancer","Pregnenolone biosynthesis","Interleukin-12 signaling","RUNX1 
regulates genes involved in megakaryocyte differentiation and platelet function","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Cycle Genes","Activation of the 
mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Centrosome maturation","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","COPI-independe
nt Golgi-to-ER retrograde traffic","Organic anion transport","Gastrin-CREB signalling pathway via PKC and MAPK","VEGF binds to VEGFR leading to receptor dimerization","Sema4D in semaphorin signaling",
"VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Visual phototransduction","Nuclear Envelope Breakdown","FCGR3A-mediated IL10 synthesis"
,"TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","MAP kinase activation","Replication of 
the SARS-CoV-1 genome","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization of p53","CYP2E1 reactions","Gene and protei
n expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Expression and Degradation","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and r
esolvins","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest","Translation initiation complex formation","Loss of proteins required for interphase microtubule organization from th
e centrosome","Prolonged ERK activation events","Separation of Sister Chromatids","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition
 of cell attachment and migration","FCGR3A-mediated phagocytosis","The phototransduction cascade","Depolymerisation of the Nuclear Lamina","Presynaptic phase of homologous DNA pairing and strand excha
nge","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Ref
ormation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation",Inactivation,"recovery and regulation of the phototransduction cascade","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA3,CA4,CA5A,CA5B,CA6,CA7,CA9,CSNK2A1,GSK3B,PRKACA,PRKCA,PRKCB,SQLE,SYK}

> <broad_moa>
{"glutathione transferase inhibitor","non-nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{"ellagic acid",476-66-4,476664,"Benzoaric acid",Elagostasine,Lagistase,"2,3,7,8-Tetrahydroxychromeno(5,4,3-cde)chromene-5,10-dione","2,3,7,8Tetrahydroxychromeno(5,4,3cde)chromene5,10dione","Eleagic a
cid","Alizarine Yellow",Gallogen,"Llagic acid","Acide ellagique","Acido elagico","Acidum ellagicum","C.I. 5500",T0465,NSC407286,1502245,"NSC 407286","Ellagic acid","ELLAGIC ACID"}

> <pdid>
PD001339

> <targets>
{Casein Kinase,Endogenous Metabolite,Reactive Oxygen Species}

> <classes>
{antineoplastic,hemostatic,antimutagenic,Cell Cycle/DNA Damage,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{5281855}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 26  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 O   0  0
   22.0998    0.7500    0.0000 P   0  0
   22.0998    2.2500    0.0000 O   0  5
   20.8009    1.5002    0.0000 O   0  0
   23.3998    0.0000    0.0000 O   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9998    0.0000    0.0000 C   0  0
   27.2998    0.7500    0.0000 N   0  3
   28.5991    0.0004    0.0000 C   0  0
   27.2998    2.2500    0.0000 C   0  0
   28.5987    1.5002    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
M  CHG  2  19  -1  24   1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13374

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Miltefosine

> <ctcr_id>
4275

> <supplier_cmpd_id>
T0033

> <smiles>
CCCCCCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C

> <pd_targets>
{FTL,LMNA,HEXB,CDC25A,AKT1}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,Hydrolase,Phosphatase,Protease,Kinase,"Protein Phosphatase","Cysteine protease","Protein Kinase","Serine/threonine/tyrosine protein phosphatase",
"Cysteine protease CA clan","AGC protein kinase group","Cysteine protease C1A family","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Vesicle-mediated transport","Cell Cycle",Disease,"Gene expression (Transcription)","Membrane Trafficking",Mitotic,"Diseases of metabolism","Cell Cycle Checkpoints","RNA Polymerase II Transcription",
"trans-Golgi Network Vesicle Budding","M Phase","Diseases of glycosylation","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and A
naphase","Diseases associated with glycosaminoglycan metabolism","p53-Independent G1/S DNA damage checkpoint","Transcriptional Regulation by TP53","Mitotic Anaphase","Defective HEXB causes GM2G2","p53
-Independent DNA Damage Response","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A","Regulation of TP53 Expression and Degradat
ion","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Choline, inner salt",Miltefosine,58066-85-6,58066856,Hexadecylphosphocholine,Miltex,Impavido,Hexadecylphosphorylcholine,HDPC,n-Hexadecylphosphorylcholine,nHexadecylphosphorylcholine,Miltefosinum,Mil
tefosina,"hexadecyl 2-(trimethylammonio)ethyl phosphate","hexadecyl 2(trimethylammonio)ethyl phosphate",1-Hexadecylphosphorylch,1Hexadecylphosphorylch,T0033,NSC605583,1505329,"NSC 605583",MILTEFOSINE,
"Miltefosin C"}

> <pdid>
PD000933

> <targets>
{Akt,HIV}

> <classes>
{antineoplastic,Anti-infection,PI3K/Akt/mTOR}

> <pubchem_cids>
{3599}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 31  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 N   0  0
    9.0933    0.7644    0.0000 C   0  0
    7.7919    1.5103    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   14.1997   -1.8694    0.0000 O   0  0
   15.4989   -1.1198    0.0000 P   0  0
   15.4989    0.3802    0.0000 O   0  0
   15.4989   -2.6198    0.0000 O   0  0
   16.7982   -1.8694    0.0000 O   0  0
   19.2996   -1.8694    0.0000 O   0  0
   20.5989   -1.1198    0.0000 P   0  0
   20.5989    0.3802    0.0000 O   0  0
   20.5989   -2.6198    0.0000 O   0  0
   21.8982   -1.8694    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 12  1  0
 22 16  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  2  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13375

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
Chloroquine diphosphate

> <ctcr_id>
6784

> <supplier_cmpd_id>
T0194

> <smiles>
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O[P](O)(O)=O.O[P](O)(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW54,"Chloroquine diphosphate","Chloroquine phosphate",50-63-5,50635,"Aralen phosphate","Chloroquine bis(phosphate)","Chloroquine diphosphate salt",Arechin,Delagil,"Chloroquine (phosphate)","Ching
amin phosphate",Khingamin,Miniquine,Tanakan,Tanakene,Arale,T0194,1500179,Prestw-548,"CHLOROQUINE DIPHOSPHATE"}

> <pdid>

> <targets>
{Autophagy,ATM/ATR}

> <classes>
{antimalarial,antiamebic,antirheumatic,"intercalating agent"}

> <pubchem_cids>
{64927,43833344}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 44 48  0  0  1  0            999 V2000
   11.6848   -5.2786    0.0000 C   0  0
   10.3832   -6.0241    0.0000 C   0  0  1  0  0  0
   10.3780   -7.5241    0.0000 C   0  0  1  0  0  0
    9.0764   -8.2697    0.0000 C   0  0  2  0  0  0
    7.7800   -7.5152    0.0000 C   0  0  2  0  0  0
    7.7850   -6.0152    0.0000 C   0  0  1  0  0  0
    9.0867   -5.2697    0.0000 O   0  0
    6.4863   -5.2629    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
   -9.0998   -3.7420    0.0000 O   0  0
  -10.3966   -2.9881    0.0000 C   0  0
   -6.4988   -5.2492    0.0000 O   0  0
   -5.1999   -5.9994    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -0.0030   -2.9951    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5795   -7.5040    0.0000 O   0  0
    6.4784   -8.2608    0.0000 O   0  0
    9.0713   -9.7697    0.0000 O   0  0
   11.6745   -8.2786    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  6
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 14 16  1  6
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  2  0
 27 17  1  0
 24 28  1  6
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 30 36  1  0
 36 37  1  0
 19 38  1  0
 13 39  1  1
 12 40  1  6
 11 41  1  1
  5 42  1  1
  4 43  1  1
  3 44  1  6
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13376

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Methyl hesperidin

> <ctcr_id>
10962

> <supplier_cmpd_id>
T0228

> <smiles>
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1cc(c2C(=O)C[C@H](Oc2c1)c1cc(c(cc1)OC)OC)O)O)O)O)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Methylhesperidin,Methyl-Hesperidin,MethylHesperidin,UNII-K324U7386B,UNIIK324U7386B,CHEBI:81056,K324U7386B,DSSTox_CID_841,DSSToxCID841,DSSTox-CID-841,"DSSTox CID 841",DSSTox_RID_75821,DSSToxRID75821,D
SSTox-RID-75821,"DSSTox RID 75821",DSSTox_GSID_20841,DSSToxGSID20841,DSSTox-GSID-20841,"DSSTox GSID 20841","CCRIS 4278",CAS-11013-97-1,CAS11013971,CHEMBL3184988,DTXSID7020841,HY-N0165,HYN0165,Tox21_20
2328,Tox21202328,Tox21-202328,"Tox21 202328",Tox21_302739,Tox21302739,Tox21-302739,"Tox21 302739",ZINC79216850,AKOS015,T0228,"Methyl hesperidin"}

> <pdid>
PD055218

> <targets>
{Akt,PKC}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{5284419}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 16 12  0  0  0  0            999 V2000
   15.2999    1.5088    0.0000 Li  0  3
   12.7999    1.5088    0.0000 Li  0  3
   10.2999    1.5088    0.0000 Li  0  3
    3.9000    2.2500    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.5986   -1.5008    0.0000 C   0  0
    3.8971   -2.2516    0.0000 O   0  5
    1.2993   -2.2504    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
    2.5761    1.5169    0.0000 C   0  0
    1.2762    0.7683    0.0000 O   0  5
    2.5773    3.0169    0.0000 O   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  6   1   1   2   1   3   1   8  -1  12  -1  15  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13377

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Lithium citrate tribasic tetrahydrate

> <ctcr_id>
6617

> <supplier_cmpd_id>
T0256

> <smiles>
[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Lithium citrate","Trilithium citrate",919-16-4,919164,"Citric acid trilithium salt","Lithium citrate anhydrous","CITRIC ACID, TRILITHIUM SALT","Lithium citrate tribasic tetrahydrate",1,2,"3-Propanet
ricarboxylic acid","3Propanetricarboxylic acid",2-hydroxy-,2hydroxy,"trilithium sal",T0256,T3605,1504269,Gastrodenol,"LITHIUM CITRATE"}

> <pdid>
PD009021

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{13520,5129076}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.1992    0.0004    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  4  7  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13378

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
2,3-Butanedione 2-Monoxime

> <ctcr_id>
11399

> <supplier_cmpd_id>
T2176

> <smiles>
CC(=O)/C(=N/O)/C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{57716,3-(hydroxyimino)butan-2-one,3(hydroxyimino)butan2one,"(E)-diacetyl monoxime","(E)diacetyl monoxime",(3Z)-3-hydroxyiminobutan-2-one,(3Z)3hydroxyiminobutan2one,"Butane-2,3-dione monooxime","Butan
e2,3dione monooxime",Tocris-0936,Tocris0936,Lopac-B-0753,LopacB0753,CHEMBL335741,SCHEMBL7069443,(E)-3-(hydroxyimino)butan-2-on,(E)3(hydroxyimino)butan2on,(3Z)-3-hydroxyimino-butan-2-one,3-((E)-Hydroxy
imi,3((E)Hydroxyimi,T2176,"2,3-Butanedione 2-Monoxime"}

> <pdid>
PD015454

> <targets>
{Akt}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{6398997}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -9.0952   -0.7567    0.0000 O   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 14  1  0
  9 23  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13379

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Myricetin

> <ctcr_id>
5209

> <supplier_cmpd_id>
T0579

> <smiles>
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O

> <pd_targets>
{IP6K2,IPMK,REP,POL,PIM1,MYLK,ACHE,KMT2A,MEN1,HSD17B10,THPO,KDM4E,APEX1,TDP1,MAPT,ALOX15,CYP2C9,ALPI,APOBEC3A,HSD17B3,DXR,ALPG,GLO1,SYK,BACE1,CSNK2A1,CSNK2A2,CSNK2B,CASP6,DAPK1,TOP2A,CDK5,PYK,RECQL,AL
DH1A1,DPP4,LEF,BLM,USP2,CYP1A1,AKR1B1,CYP19A1,FABI,INSR,NA,ALD,HPGD,IMPA1,APOBEC3G,FABZ,PIK3CG,AURKB,ELAVL3,E6,FLT3,APP,CBS,BRAF,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCQ,PRKCZ,CSNK2A3,AMY1A,HIF1A,PMP
22,CYP3A4,ALPL,CYP1A2,AKR1C21,CYP1B1,CD38,CYP2C19,FFP,CYP2D6,HTT,ABCC2,FABG,XDH,ABCC1,STK33,MAPK10,MAPK14,V-FPS,BCHE,ALOX12,L3MBTL1,AMPC,PSIP1,PRSS1,TGR,POLB,HSP90AB1,SLC2A2,MTOR,GPR35,IDE,DHODH,PSMB5
,SLC2A4,CASP7,NS3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Other cytosolic protein","Membrane receptor","Transcription factor",Transporter,Transferase,Hydrolase,Kinase,Reader,Oxidoreductase,Eraser,Proteas
e,"Cytochrome P450",Phosphatase,Lyase,Isomerase,"Primary active transporter","Electrochemical transporter","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Lysine demethylase","Cyst
eine protease","Cytochrome P450 family 2","Aspartic protease","Serine protease","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 19","Cytochrome P450 family 3","ATP-binding casset
te","Methyl-lysine/arginine binding protein","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Threonine protease","CAMK protein kinase group","Jumonji domain-containing"
,"Cysteine protease CA clan","Cytochrome P450 family 2C","TK protein kinase group","Aspartic protease AA clan","Other protein kinase group","Cysteine protease CD clan","CMGC protein kinase group","Ser
ine protease SC clan","Metallo protease MAE clan","Cytochrome P450 family 1A","Cytochrome P450 family 19A","TKL protein kinase group","AGC protein kinase group","Cytochrome P450 family 3A","Cytochrome
 P450 family 1B","Cytochrome P450 family 2D","ABCC subfamily","MBT domain","Serine protease PA clan","SLC02 family of hexose and sugar alcohol transporters","Atypical protein kinase group","Carboxylic
 acid receptor","Threonine protease PBT clan","CAMK protein kinase PIM family","CAMK protein kinase MLCK family","Cysteine protease C1A family","Cytochrome P450 2C9","Tyrosine protein kinase Syk famil
y","Aspartic protease A1A subfamily","Other protein kinase CK2 family","Cysteine protease C14 family","CAMK protein kinase DAPK family","CMGC protein kinase CDK family","Serine protease S9B subfamily"
,"Metallo protease M34 family","Cysteine protease C19 family","Cytochrome P450 1A1","Cytochrome P450 19A1","Tyrosine protein kinase InsR family","Other protein kinase AUR family","Tyrosine protein kin
ase PDGFR family","TKL protein kinase RAF family","AGC protein kinase PKC family","Cytochrome P450 3A4","Cytochrome P450 1B1","Cytochrome P450 2C19","Cytochrome P450 2D6","CAMK protein kinase unique f
amily","CMGC protein kinase MAPK family","Tyrosine protein kinase Fer family","Serine protease S1A subfamily","Atypical protein kinase PIKK family","Kynurenic acid receptor","Threonine protease T1A su
bfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase PKC alpha subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Acetylcholine turnover","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","
Catalytic receptors","Peptidases and proteinases","DNA topoisomerases","1.-.-.- Oxidoreductases","Inositol phosphate turnover","Hydrogen sulphide synthesis","Abscisic acid receptor complex","ATP-bindi
ng cassette transporter family","Heat shock proteins","SLC superfamily of solute carriers","G protein-coupled receptors","Viral protein targets","CAMK: Calcium/calmodulin-dependent protein kinases","1
.14.11.- Histone demethylases",Lipoxygenases,"CYP2 family: drug metabolising subset","Receptor kinases","AA: Aspartic (A) Peptidases","CD: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","SC: Serine (S) Peptidases","CA: Cysteine (C) Peptidases","CYP1 family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","Inositol monophosphatase","Lipid modifying k
inases","CYP3 family","ABCC subfamily","2.1.1.43 Histone methyltransferases (HMTs)","PA: Serine (S) Peptidases","SLC2 family of hexose and sugar alcohol transporters",Atypical,"Orphan and other 7TM re
ceptors","ME: Metallo (M) Peptidases","PB: Threonine (T) Peptidases","Coronavirus (CoV) proteins","PIM family","Myosin Light Chain Kinase (MLCK) family","TK: Tyrosine kinase","A1: Pepsin","C14: Caspas
e","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","S9: Prolyl oligopeptidase","C19: Ubiquitin-specific protease",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"
,"Other protein kinases","TKL: Tyrosine kinase-like","CAMK-unique family","Mitogen-activated protein kinases (MAP kinases)","S1: Chymotrypsin","Class I transporters","Phosphatidyl inositol 3' kinase-r
elated kinases (PIKK) family","Class A Orphans","M16: Pitrilysin","T1: Proteasome","Non-receptor tyrosine kinases (nRTKs)","CDK5 subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) fami
ly","RAF family","JNK subfamily","p38 subfamily","FRAP subfamily","Syk family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System",Metabolism,Disease,"Signal Transduction",Hemostasis,"DNA Repair","Neuronal System","Metabolism of RNA","Metabolism of proteins","Gene expression (Transcription)","Programmed Cell Deat
h","Cell Cycle","Cellular responses to external stimuli","Developmental Biology","Transport of small molecules","Cytokine Signaling in Immune system","Inositol phosphate metabolism","Infectious diseas
e","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Rho GTPases","Metabolism of lipids","Metabolism of amino acids and derivatives","Platelet activation
","signaling and aggregation","Base Excision Repair","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Biological oxidations","mRNA Editing","Post-translational protein modific
ation","The citric acid (TCA) cycle and respiratory electron transport","Amyloid fiber formation","RNA Polymerase II Transcription",Apoptosis,Mitotic,"Peptide hormone metabolism","Intracellular signal
ing by second messengers","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Cellular responses to stress","Nervous system development","Metabolism of vitamins and cofactors","Disorders 
of transmembrane transporters","Metabolism of nucleotides","Signaling by GPCR","SLC-mediated transmembrane transport","Interferon Signaling","Synthesis of IPs in the nucleus","SARS-CoV Infections","FL
T3 signaling in disease","RHO GTPase Effectors","Phospholipid metabolism","Branched-chain amino acid catabolism","Platelet Aggregation (Plug Formation)","Resolution of Abasic Sites (AP sites)","Nonhom
ologous End-Joining (NHEJ)","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","mR
NA Editing: C to U Conversion","Fatty acid metabolism","Post-translational modification: synthesis of GPI-anchored proteins","Pyruvate metabolism and Citric Acid (TCA) cycle","Leishmania infection","G
eneric Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G1 phase and G1/S transition","Incretin synthesis",secretion,"and inactivation","Uptake and actio
ns of bacterial toxins","Homology Directed Repair","Metabolism of steroids","PIP3 activates AKT signaling","Synthesis of IP2",IP,"and Ins in the cytosol","HIV Infection","M Phase","Signaling by Insuli
n receptor","Toll-like Receptor Cascades","Selenoamino acid metabolism","Signaling by NTRKs","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Metabolism
 of water-soluble vitamins and cofactors","ABC transporter disorders","Nucleobase catabolism","Influenza Infection","Mitotic G2-G2/M phases","SLC transporter disorders","GPCR ligand binding",Deubiquit
ination,"Regulation of mitotic cell cycle","Cellular hexose transport","Intrinsic Pathway for Apoptosis","Interferon alpha/beta signaling","SARS-CoV-2 Infection","Signaling by FLT3 ITD and TKD mutants
","RHO GTPases activate PAKs","Glycerophospholipid biosynthesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","
Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Formation of the Editosome","Fatty acyl-CoA biosynthesis","Pyruvate metabolism","Leishmania parasite growth and surviv
al","Transcriptional Regulation by TP53","Caspase activation via Dependence Receptors in the absence of ligand","G0 and Early G1","Ethanol oxidation",Synthesis,"and inactivation of Glucagon-like Pepti
de-1 (GLP-1)","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Metabolism of steroid hormones","Negative regulation of the PI3K/AK
T network","Biosynthesis of DHA-derived SPMs","Host Interactions of HIV factors","PI Metabolism","Mitotic Metaphase and Anaphase","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cas
cade","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Signaling by NTRK1 (TRKA)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Nicotinate metabolism","Transcription
al Regulation by MECP2","Defective ABCC2 causes DJS","Purine catabolism","Arachidonic acid metabolism","Transcriptional regulation by RUNX1","HIV Life Cycle","Cobalamin (Cbl","vitamin B12) transport a
nd metabolism","Virus Assembly and Release","G2/M Transition","Defective SLC2A2 causes Fanconi-Bickel syndrome (FBS)","Class A/1 (Rhodopsin-like receptors)","Ub-specific processing proteases","APC/C-m
ediated degradation of cell cycle proteins","Apoptotic factor-mediated response","SARS-CoV-2 Genome Replication and Transcription","STAT5 activation downstream of FLT3 ITD mutants","Synthesis of PC","
PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Synthesis of very long-chain fatty acyl-CoAs","Anti-inflammatory respo
nse favouring Leishmania parasite infection","TP53 Regulates Transcription of Cell Death Genes","Transcription of E2F targets under negative control by DREAM complex","Regulation of TP53 Activity","HD
R through Homologous Recombination (HRR)","Synthesis of PA","Pregnenolone biosynthesis","Endogenous sterols",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of D-series resolvins","APOB
EC3G mediated resistance to HIV-1 infection","Synthesis of PIPs at the plasma membrane","Mitotic Anaphase","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","
Biosynthesis of maresins","Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet f
unction","Early Phase of HIV Life Cycle","Assembly of Viral Components at the Budding Site","The role of GTSE1 in G2/M progression after G2 checkpoint","Activation of APC/C and APC/C:Cdc20 mediated de
gradation of mitotic proteins","Cytochrome c-mediated apoptotic response","Replication of the SARS-CoV-2 genome","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins an
d resolvins","CYP2E1 reactions","FCGR3A-mediated IL10 synthesis","TP53 Regulates Transcription of Caspase Activators and Caspases","Regulation of TP53 Activity through Phosphorylation","Homologous DNA
 Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","PI3K Cascade","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","
Prolonged ERK activation events","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Biosynthesis of DPAn-3-derived maresins
","Regulation of TP53 Activity through Methylation","Integration of provirus","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","APC/C:Cdc20 
mediated degradation of mitotic proteins","Activation of caspases through apoptosome-mediated cleavage","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradatio
n","ARMS-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","2-LTR circle formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cy
cle checkpoint","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PIK3CG}

> <broad_moa>
{"androgen receptor agonist","cytochrome P450 inhibitor"}

> <synonyms>
{myricetin,529-44-2,529442,Cannabiscetin,Myricetol,"3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one","3,5,7Trihydroxy2(3,4,5trihydroxyphenyl)4Hchromen4one",Myricitin,"3,3',4',5,5',7-Hexah
ydroxyflavone","3,3',4',5,5',7Hexahydroxyflavone","3,5,7,3',4',5'-Hexahydroxyflavone","3,5,7,3',4',5'Hexahydroxyflavone","3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one","3,3',4,4',5',7Hexahydro2p
henyl4Hchromen4one",UNII-76X,UNII76X,T0579,S2326,Myricetin}

> <pdid>
PD002690

> <targets>
{MEK,Others}

> <classes>
{Others}

> <pubchem_cids>
{5281672}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  2  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2080    5.9891    0.0000 C   0  0
    5.2111    7.4890    0.0000 O   0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5984    1.4941    0.0000 O   0  0
    3.8966    0.7411    0.0000 C   0  0
    3.8968   -0.7589    0.0000 C   0  0
    5.1959   -1.5089    0.0000 C   0  0
    5.1959   -3.0089    0.0000 O   0  0
    6.4949   -0.7588    0.0000 C   0  0
    7.7962   -1.5065    0.0000 C   0  0
    7.7989   -3.0065    0.0000 O   0  0
    9.0948   -0.7542    0.0000 C   0  0
   10.3962   -1.5019    0.0000 C   0  0
   11.6948   -0.7495    0.0000 C   0  0
   12.9966   -1.4949    0.0000 C   0  0
   14.2930   -0.7404    0.0000 C   0  0
   14.2877    0.7596    0.0000 C   0  0
   15.5841    1.5141    0.0000 O   0  0
   12.9860    1.5051    0.0000 C   0  0
   11.6896    0.7505    0.0000 C   0  0
    6.4948    0.7412    0.0000 C   0  0
    7.7938    1.4912    0.0000 O   0  0
    5.1957    1.4911    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  6  5  1  6
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  1
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15  6  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 21 33  1  0
 33 34  1  0
 33 35  2  0
 35 17  1  0
  4 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 38 40  1  0
 40  2  1  0
 40 41  1  6
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13380

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Naringin

> <ctcr_id>
7493

> <supplier_cmpd_id>
T0595

> <smiles>
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@H](O)[C@H](O)[C@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{"naringin dihydrochalcone",18916-17-1,18916171,UNII-7233QDO0QW,UNII7233QDO0QW,7233QDO0QW,"FEMA no. 4495",naringin-dihydrochalcone,naringindihydrochalcone,"EC 700-320-7","EC 7003207",SCHEMBL3119273,"P
hloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside)","Phloretin, 4'(2OalphaLrhamnobetaDglucopyranoside)",HY-N0119,HYN0119,"naringin dihydrochalco",S2389,"Naringin Dihydrochalcone",Naringin}

> <pdid>
PD021641

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9894584}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   10.1894   -2.2553    0.0000 H   0  3
    7.6894   -2.2553    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13381

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Isoprenaline hydrochloride

> <ctcr_id>
33

> <supplier_cmpd_id>
T1056

> <smiles>
[H+].[Cl-].CC(C)NCC(O)c1ccc(O)c(O)c1

> <pd_targets>
{TSHR,ALDOA,ADRB3,ADRB1,ADRB2,FFP,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,MAPT,ALOX15,ALD,HSD17B10,KDM4E,TDP1,PMP22,RXFP1,MAPK1,AMPC,BLM,POLB,NS1,GAA,TAS2R46,TAS2R31,TAS2R50,TAS2R10,TAS2R41,DRD3,TAS
2R45,MTOR,DRD4,TAS2R14,TAS2R4,DRD2,TAS2R3,TAS2R40,TAS2R39,TAS2R9,TAS2R8,TAS2R13,TAS2R43,TAS2R16,TAS2R19,TAS2R7,TAS2R42,TAS2R60,TAS2R38,TAS2R30,TAS2R1,TAS2R5,TAS2R20,PIK3R1,PIK3R2,PIK3R3,PDE4,MPI,TGR,N
FKB1,HIF1A,CYP3A4,CYP1A2,KMT2A,MEN1,HPGD,LMNA,CYP2C19,ALDH1A1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Family A G protein-coupled receptor",Lyase,Transferase,Oxidoreductase,Eraser,Hydrolase,Kinase,"Tast
e family G protein-coupled receptor",Isomerase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Lysine demethylase","Protein Kinase","Taste receptor (taste family GPCR)","
Glycohormone receptor","Monoamine receptor","Jumonji domain-containing","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Atypical protein kinase group","Adrenergic receptor
","Relaxin receptor","CMGC protein kinase MAPK family","Dopamine receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Transcription fact
or","Other nuclear protein","Cytochrome P450",Reader,"Cytochrome P450 family 3","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 1A
","Cytochrome P450 family 2C","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.2.1.- Glycosidases","Glycerophospholipid turnover","Glycoprotein hormone 
receptors",Adrenoceptors,Lipoxygenases,"1.14.11.- Histone demethylases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orphan and other 7TM receptors","Dopamine re
ceptors",Atypical,"Phosphatidylinositol kinases","Mitogen-activated protein kinases (MAP kinases)","Taste 2 receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","
FRAP subfamily","Cytochrome P450","CYP3 family","CYP1 family","Prostaglandin synthases","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,Hemostasis,"Neuronal System",Metabolism,"DNA Repair","Developmental Biology","Immune System","Signal Transduction","Gene expression (Transcription)","Metabolism of proteins","Infectious disea
se","Platelet activation","signaling and aggregation","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Nervo
us system development","Innate Immune System","Base Excision Repair","Diseases of metabolism","Signaling by GPCR","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor re
ceptors and second messengers","Signaling by Receptor Tyrosine Kinases","Adaptive Immune System","Post-translational protein modification","Leishmania infection","Response to elevated platelet cytosol
ic Ca2+","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Nonhomologous End-Joining
 (NHEJ)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate met
abolism","GPCR downstream signalling","GPCR ligand binding","Generic Transcription Pathway","Signaling by FGFR in disease","Signaling by Insulin receptor","Costimulation by the CD28 family","Asparagin
e N-linked glycosylation","Leishmania parasite growth and survival","Platelet degranulation","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Recept
or 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage dise
ases","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","CD28 co-stimula
tion","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Anti-inflammatory response favouring Leishmania parasite infection","Pos
t NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repa
ir","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","CD28 dependent PI3K/Akt signal
ing","Synthesis of substrates in N-glycan biosythesis","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins an
d resolvins","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI
3K Cascade",Adrenoceptors,"Synthesis of GDP-mannose","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degrad
ation","ERK/MAPK targets","ERKs are inactivated","Cellular responses to external stimuli","Cell Cycle","Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations",Mito
tic,"Signaling by Interleukins","Cellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypoxia-
inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Ethanol oxidation","Interleukin-1 signaling","Biosynthesis o
f maresins",Xenobiotics,"Biosynthesis of D-series resolvins","Mitotic Anaphase","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026750017,"l-Isoprenaline hydrochloride","lIsoprenaline hydrochloride",MCULE-1456958404,MCULE1456958404,"(2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)-propan-2-ylazanium;chloride","(2(3,4dihydroxyphen
yl)2hydroxyethyl)propan2ylazanium;chloride","Isoprenaline hydrochloride","ISOPROTERENOL HYDROCHLORIDE",51-30-9,51309,Isuprel,"Isoprenaline HCl",Euspiran,Aerolo,S2566,SAM002554906,1500357,CPD000058267}

> <pdid>
PD009570

> <targets>
{"Adrenergic Receptor"}

> <classes>
{bronchodilator,"Neuronal Signaling"}

> <pubchem_cids>
{57513594,13701,5807}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -2.1567   -3.7722    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2237   -5.5078    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4142   -3.9859    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8825   -5.9148    0.0000 Cl  0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    6.8188   -0.8287    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  4  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13382

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Lonidamine

> <ctcr_id>
2802

> <supplier_cmpd_id>
T0239

> <smiles>
OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13

> <pd_targets>
{TSHR,PMP22,AMPC,CYP3A4,CYP2C9,HIF1A,NPSR1,RORC,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Transcription factor","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Nuclear receptor","Peptide receptor (family A GPCR)","Cytoc
hrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Short
 peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2C9","Neuropeptide receptor","Nuclear hormone recep
tor subfamily 1 group F member 3","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Glycoprotein hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","Neuropeptide S re
ceptor","1F. Retinoic acid-related orphans","CYP1 family"}

> <pathway_reactome>
{Disease,"Developmental Biology",Metabolism,"Cellular responses to external stimuli","Gene expression (Transcription)","Infectious disease","Nervous system development","Metabolism of lipids","Biologi
cal oxidations","Cellular responses to stress","RNA Polymerase II Transcription","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Generic Transcription Pathway","Leishmania parasite growth and survival","Biosynthesis of DHA-de
rived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Anti-inflammatory response 
favouring Leishmania parasite infection","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","ADORA2B mediated anti-inflammatory cytokines production","Biosynth
esis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{GCK}

> <broad_moa>
{"glucokinase inhibitor"}

> <synonyms>
{50264-69-2,50264692,lonidamine,"1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid","1(2,4Dichlorobenzyl)1Hindazole3carboxylic acid","Diclondazolic acid",Doridamina,DICA,Lonidamina,Lonidaminum,Loni
damin,"AF 1890","1-((2,4-dichlorophenyl)methyl)-1H-indazole-3-carboxylic acid","1((2,4dichlorophenyl)methyl)1Hindazole3carboxylic acid",1-(2,1(2,4-Dichlorbenzyl)-i,4Dichlorbenzyl)i,T0239,S2610,Lonidam
ine}

> <pdid>
PD002694

> <targets>
{Others,Apoptosis,Hexokinase,Mitochondrial Metabolism}

> <classes>
{Others,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{39562}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992   -0.7496    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  3  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13383

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Cyanoacetohydrazide

> <ctcr_id>
11047

> <supplier_cmpd_id>
T0704

> <smiles>
NNC(=O)CC#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{2-Cyanoacetohydrazide,2Cyanoacetohydrazide,Cyanoacetohydrazide,Cyacetacide,140-87-4,140874,"Cyanoacetic acid hydrazide",Cyanoacethydrazide,Cyacetacid,Cyacetazid,Cyacetazide,Mackreazid,Neohydrazid,Arm
azal,Cianazil,Cyanazide,Cyanizide,Cyazide,Dictycide,Dictyzide,Hi,T0704}

> <pdid>
PD001299

> <targets>
{GSK-3,Bacterial}

> <classes>
{PI3K/Akt/mTOR signaling,Stem Cells,Anti-infection}

> <pubchem_cids>
{8820}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
    9.0000    0.3750    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.4992    0.7496    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13384

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Metformin hydrochloride

> <ctcr_id>
1065

> <supplier_cmpd_id>
T0740

> <smiles>
Cl.CN(C)C(=N)NC(N)=N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"amino((dimethylamino)iminomethyl)carboxamidine, chloride","Metformin HCl form I","Metformin HCl form II",SBB056982,AKOS024362789,ST50993881,"Metformin hydrochloride",1115-70-4,1115704,"1,1-Dimethylb
iguanide hydrochloride","1,1Dimethylbiguanide hydrochloride","Metformin HCL",1505814,Prestw-4,"METFORMIN HYDROCHLORIDE"}

> <pdid>
PD010095

> <targets>
{}

> <classes>
{antidiabetic}

> <pubchem_cids>
{43833340,14219,53630812}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    3.9038    5.2484    0.0000 O   0  0
    5.1993    2.9963    0.0000 C   0  0
    6.4995    3.7443    0.0000 O   0  0
    5.1969    1.4963    0.0000 C   0  0
    6.4947    0.7443    0.0000 O   0  0
    3.8967    0.7484    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
  3 15  1  6
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 23 15  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13385

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Dihydromyricetin

> <ctcr_id>
7513

> <supplier_cmpd_id>
T2998

> <smiles>
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3

> <pd_targets>
{APP,REP,SYNJ2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transferase,Hydrolase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Inositol phosphate turnover","Viral protein targets","Inositol polyphosphate phosphatases","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Immune System",Disease,Metabolism,"Innate Immune System","Infectious disease","Metabolism of lipids","Toll-like Receptor Cascades","SARS-CoV Infections","Phospholipid metabolism","Toll Like Receptor
 5 (TLR5) Cascade","SARS-CoV-2 Infection","PI Metabolism","MyD88 cascade initiated on plasma membrane","SARS-CoV-2 Genome Replication and Transcription","Synthesis of PIPs at the plasma membrane","TAK
1 activates NFkB by phosphorylation and activation of IKKs complex","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{+)DIHYDROMYRICETI,AC-8004,AC8004,Dihydromyricetin,Ampelopsin,27200-12-0,27200120,Ampeloptin,(+)-Dihydromyricetin,(+)Dihydromyricetin,(+)-Ampelopsin,(+)Ampelopsin,"(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-tr
ihydroxyphenyl)chroman-4-one","(2r,3r)3,5,7trihydroxy2(3,4,5trihydroxyphenyl)chroman4one",UNII-KD8QND6427,UNIIKD8QND6427,KD8QND6427,CHEBI:28429,(2R,3R)-3,3R)3,5,7,3',4',5'-hexahydrox,5'hexahydrox,S239
9}

> <pdid>
PD012048

> <targets>
{Others,Autophagy,DNA/RNA Synthesis,Influenza Virus,mTOR}

> <classes>
{Anti-infection,Autophagy,Cell Cycle/DNA Damage,PI3K/Akt/mTOR}

> <pubchem_cids>
{161557}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4970    0.7465    0.0000 C   0  0
   -7.7969    1.4967    0.0000 C   0  0
   -9.0963    0.7473    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13386

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Honokiol

> <ctcr_id>
2818

> <supplier_cmpd_id>
T3001

> <smiles>
Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O

> <pd_targets>
{RORC,TGR,NA,PTGS2,PTGS1,FTL,POLB,GAA,CNR2,ALOX5,KMT2A,MEN1,MAPT,TIM10,GABRA1,GABRB2,GABRG2,GABRA2,CNR1,RXRA,GABRA3,GABRB1,GABRB3,GABRA5}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Membrane receptor","Epigenetic regulator","Other cytosolic protein","Ion channel","Nuclear receptor",Hydrolase,Oxidoreductase,"Family A G protein
-coupled receptor",Reader,"Ligand-gated ion channel","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)",Bromodomain,"GABA-A receptor","Nuclear hormone receptor subfamily 
2","Nuclear hormone receptor subfamily 1 group F","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group F member 3","C
annabinoid receptor","Nuclear hormone receptor subfamily 2 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","3.2.1.- Glycosidases","G protein-coupled receptors","1F. Retinoic acid-related orphans",Cyclooxygenase,"Cannabinoid receptors",Lip
oxygenases,"2B. Retinoid X receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Vesicle-mediated transport","DNA Repair",Disease,"Signal Transduction","Neuronal System","RNA Polymerase II Transcription","Metabolism of lipids","Membra
ne Trafficking","Base Excision Repair","Diseases of metabolism","Signaling by GPCR","Transmission across Chemical Synapses","Generic Transcription Pathway","Biosynthesis of specialized proresolving me
diators (SPMs)","Fatty acid metabolism","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","GPCR downstream signalling","Neurotransmitt
er receptors and postsynaptic signal transmission","Metabolism of steroids","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Golgi Associated Ves
icle Biogenesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","G alpha (i) signalling events","Activation of NMDA receptors and postsynapt
ic events","Bile acid and bile salt metabolism","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","PCNA-Depend
ent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","Biosynthesis of DPAn-3-derived 13-series 
resolvins","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{ALOX5,PTGS1,PTGS2}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{Honokiol,35354-74-6,35354746,"5,3'-Diallyl-2,4'-dihydroxybiphenyl","5,3'Diallyl2,4'dihydroxybiphenyl","NSC 293100","3,5'-Diallyl-4,2'-dihydroxybiphenyl","3,5'Diallyl4,2'dihydroxybiphenyl","Honokiol,(
S)",UNII-11513CCO0N,UNII11513CCO0N,"3',5-Diallylbiphenyl-2,4'-diol","3',5Diallylbiphenyl2,4'diol",C18H18O2,CPD000387107,CHEMBL16901,CHEBI:5759,3',5-diallyl-(1,5diallyl(1,1'-biph,1'biph,T3001,SAM001246
690}

> <pdid>
PD002976

> <targets>
{AKT,Akt,Autophagy,ERK,HCV}

> <classes>
{Anti-infection,Autophagy,MAPK/ERK Pathway,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{72303}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13387

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Chrysophanic Acid

> <ctcr_id>
6506

> <supplier_cmpd_id>
T2995

> <smiles>
Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

> <pd_targets>
{KDM4E,KMT2A,MEN1,RECQL,ELANE,MAPT,PTGS2,MAPK1,CYP3A4,PTGS1,TSHR,ALDH1A1,TDP1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Membrane receptor",Eraser,Reader,Protease,Oxidoreductase,Kinase,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Lysine deme
thylase",Bromodomain,"Serine protease","Protein Kinase","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Jumonji domain-containing","Serine protease PA clan","CMGC protein kinase group",
"Cytochrome P450 family 3A","Glycohormone receptor","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","1.14.11.- Histone demethylas
es","PA: Serine (S) Peptidases",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Glycoprotein hormone receptors","S1: Chymotrypsin","Mitogen-activated protein kinases (MAP
 kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Neuronal System",Metabolism,Disease,"DNA Repair","Innate Immune System","Transmission across Chemical Synapses","Metabolism of lipids","Infectious disease","Biological oxidations","D
NA Double-Strand Break Repair","Complement cascade","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Ca
scades","Fatty acid metabolism","Leishmania infection","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Regulation of Complement cascade","Activation of NMDA receptors an
d postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Leishmania parasite growth and surviva
l","Ethanol oxidation","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) an
d Thromboxanes (TX)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of maresin-like SPMs","ADORA2B
 mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,MTOR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"CHRYSOPHANIC ACID",481-74-3,481743,"1,8-Dihydroxy-3-methylanthraquinone","1,8Dihydroxy3methylanthraquinone",3-Methylchrysazin,3Methylchrysazin,"Turkey rhubarb","1,8-dihydroxy-3-methylanthracene-9,10
-dione","1,8dihydroxy3methylanthracene9,10dione","NSC 37132","NSC 646567","Crysophanic acid",1,8-Dihydroxy-3-methyl-9,8Dihydroxy3methyl9,10-anthrace,10anthrace,T2995,300545,"Chrysophanic Acid",CHRYSOP
HANOL}

> <pdid>
PD002009

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10208}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 22  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6131    7.4988    0.0000 C   0  0
    3.9147    8.2443    0.0000 C   0  0
    5.2111    7.4898    0.0000 C   0  0
    6.5127    8.2353    0.0000 O   0  0
    5.2059    5.9898    0.0000 C   0  0
    3.9043    5.2443    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  5 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20  3  1  0
 20 21  1  1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13388

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Salidroside

> <ctcr_id>
7507

> <supplier_cmpd_id>
T2717

> <smiles>
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
{PTGS1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Arachidonic acid metabolism","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"}

> <broad_targets>
{APP}

> <broad_moa>
{"beta amyloid protein neurotoxicity inhibitor"}

> <synonyms>
{10338-51-9,10338519,Rhodioloside,Rhodosin,UNII-M983H6N1S9,UNIIM983H6N1S9,MFCD00210553,"2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside","2(4Hydroxyphenyl)ethyl betaDglucopyranoside",CHEBI:9009,CHEMBL
465208,"p-Hydroxyphenethyl glucopyranoside","pHydroxyphenethyl glucopyranoside",M983H6N1S9,DSSTox_CID_28960,DSSToxCID28960,DSSTox-CID-28960,"DSSTox CID 28960",DSSTox_RID_83225,DSSToxRID83225,DSSTox-RI
D-83225,"DSSTox RID 83225",DSSTox_GSID_49034,DSSToxGSID49034,DSSTox-GSID-49034,"DSSTox GSID 49034",C,S2396,Salidroside}

> <pdid>
PD000379

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{159278}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0039    0.0000 C   0  0  1  0  0  0
   -6.4896   -3.7585    0.0000 C   0  0  1  0  0  0
   -6.4844   -5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828   -6.0040    0.0000 C   0  0  1  0  0  0
   -3.8863   -5.2495    0.0000 C   0  0  2  0  0  0
   -3.8915   -3.7495    0.0000 O   0  0
   -2.5855   -5.9981    0.0000 C   0  0
   -2.5825   -7.4981    0.0000 O   0  0
   -1.2878   -5.2459    0.0000 O   0  0
   -5.1776   -7.5040    0.0000 O   0  0
   -7.7808   -6.0130    0.0000 O   0  0
   -7.7912   -3.0131    0.0000 O   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  7  1  0
 14 18  1  0
 19 18  1  6
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 23 25  1  6
 25 26  2  0
 25 27  1  0
 22 28  1  1
 21 29  1  6
 20 30  1  1
 13 31  1  0
 12 32  1  0
  3 33  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13389

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Scutellarin

> <ctcr_id>
11517

> <supplier_cmpd_id>
T2789

> <smiles>
c1cc(ccc1c1cc(=O)c2c(c(c(cc2o1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O

> <pd_targets>
{NA,UGT1A1,ABCC2,ABCG2,SLCO2B1,HTR7}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor",Hydrolase,Transferase,"Primary active transporter","Electrochemical transporter","Family A G protein-coupled receptor","ATP-binding cassette","SLC superfamily o
f solute carriers","Small molecule receptor (family A GPCR)","ABCC subfamily","ABCG subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"UDP glucuronosyltransferases (UGT)","ATP-binding cassette transporter family","SLC superfamily of solute carriers","G protein-coupled receptors","ABCC subfamily","ABCG
 subfamily","SLCO family of organic anion transporting polypeptides","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Transport of small molecules","Diseases of metabolism","Disorders of transmembrane transporters","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Infect
ious disease","Metabolic disorders of biological oxidation enzymes","ABC transporter disorders","Abacavir transmembrane transport","Transport of vitamins",nucleosides,"and related molecules","Leishman
ia infection","Defective UGT1A1 causes hyperbilirubinemia","Defective ABCC2 causes DJS","Transport of organic anions","Leishmania parasite growth and survival","Anti-inflammatory response favouring Le
ishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Scutellarin,27740-01-8,27740018,Breviscapin,Scutellarein-7-glucuronide,Scutellarein7glucuronide,Breviscapine,Scutellarein-7beta-D-glucuronide,Scutellarein7betaDglucuronide,Scutellarein-7beta-D-glucur
onoside,Scutellarein7betaDglucuronoside,Scutellarein-7-O-beta-D-glucuronide,Scutellarein7ObetaDglucuronide,UNII-16IGP0ML9A,UNII16IGP0ML9A,"SCUTELLAREIN 7-O-GLUCURONIDE","SCUTELLAREIN 7OGLUCURONIDE","S
cutellarein 7-O","Scutellarein 7O",T2789,T3242}

> <pdid>
PD056398

> <targets>
{Akt,STAT}

> <classes>
{"JAK/STAT Signaling","PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{185617}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  2  1  0
 18  6  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13390

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Antrapurol

> <ctcr_id>
176

> <supplier_cmpd_id>
T0800

> <smiles>
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12

> <pd_targets>
{FFP,MAPT,KMT2A,MEN1,HSD17B10,MAPK1,HTT,ALDH1A1,RORC,HPGD,ALOX15,LMNA,TSHR,RXRA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator",Transferase,Reader,Bromodomain,"Unclassified protein","Transcription factor","Other nuclear protein","Membrane receptor",Oxidoreductase,Kinase,
"Nuclear receptor","Family A G protein-coupled receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 2","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Nuclear hormone receptor subfamily 2 group B","CMGC protein kinase MAPK family","Nuclear hormone receptor subfami
ly 1 group F member 3","Nuclear hormone receptor subfamily 2 group B member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orp
hans","Prostaglandin synthases",Lipoxygenases,"Glycoprotein hormone receptors","2B. Retinoid X receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle",Disease,"Metabolism of amino acids and derivatives","Innate Immun
e System","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids",Mitotic,"Infectious disease","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Generic Tr
anscription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Metabolism of steroids","Toll Like Recepto
r 5 (TLR5) Cascade","Transcriptional Regulation by MECP2","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Mitotic Metap
hase and Anaphase","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","MyD88 cascade initiated on plasma membrane","Regulation of MECP2 expression and activity","RUNX3 Regu
lates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Sy
nthesis of bile acids and bile salts","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines
 production","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targe
ts","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{laxative}

> <synonyms>
{danthron,"1,8-Dihydroxyanthraquinone","1,8Dihydroxyanthraquinone",117-10-2,117102,Chrysazin,Dantron,Antrapurol,Dorbane,Istizin,Laxanthreen,Diaquone,Laxanorm,Altan,"1,8-Dihydroxyanthracene-9,10-dione"
,"1,8Dihydroxyanthracene9,10dione",Laxipurin,Zwitsalax,Danivac,Dionone,Duolax,Laxipur,9,10-Anthracenedione,10Anthracenedione,1,8-dih,8dih,T0800,NSC7210,211468,"NSC 7210",DANTHRON,LTAN}

> <pdid>
PD000118

> <targets>
{AMPK,Autophagy,Bacterial,Virus Protease}

> <classes>
{cathartic,Anti-infection,Autophagy,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{2950}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1828    6.0130    0.0000 C   0  0
    5.1775    7.5130    0.0000 C   0  0
    3.8759    8.2585    0.0000 C   0  0
    2.5795    7.5040    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 O   0  0
    1.2934    3.7495    0.0000 C   0  0
    0.4291    3.2465    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    2.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15 16  2  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  2  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13391

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Dicumarol

> <ctcr_id>
4134

> <supplier_cmpd_id>
T0809

> <smiles>
OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14

> <pd_targets>
{CYP2C9,NQO1,CYP2C19,CYP1A2,FABI,PCSK7,KMT2A,MEN1,AKR1B1,ALDH1A1,CYP3A4,HISG,TP53,ABCB11,LMNA,TSHR,MAPK1,GPR35,VKORC1,CRYZ}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Other nuclear protein","Membrane receptor","Cytochrome P450",Oxidoreductase,Protease,Reader,Transferase,"Primary active transporter",
"Family A G protein-coupled receptor",Hydrolase,Kinase,"Cytochrome P450 family 2","Cytochrome P450 family 1","Serine protease",Bromodomain,"Cytochrome P450 family 3","ATP-binding cassette","Peptide re
ceptor (family A GPCR)","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Serine protease SB clan","Cytochrome P450 family 3A","ABCB s
ubfamily","Glycohormone receptor","CMGC protein kinase group","Carboxylic acid receptor","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 1A1","Serine protease S8B subfamily","Cytochrome 
P450 3A4","CMGC protein kinase MAPK family","Kynurenic acid receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","Peptidases and proteinases","1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","G protein-coupled receptors","Kinases (EC 2.7.x.x)",
"CYP2 family: drug metabolising subset","CYP1 family","SB: Serine (S) Peptidases","CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orpha
n and other 7TM receptors","S8: Subtilisin","Mitogen-activated protein kinases (MAP kinases)","Class A Orphans","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Cell Cycle Checkpoints",Mitotic,"Infe
ctious disease","Innate Immune System","Signaling by GPCR","Metabolism of vitamins and cofactors","Phase I - Functionalization of compounds","Metabolism of polyamines","Metabolism of steroids","Biosyn
thesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","M Phase","Leishmania infection","Toll-like Receptor Cascades","GPCR ligand binding","Metabolism of fat-soluble vitam
ins","Cytochrome P450 - arranged by substrate type","Regulation of ornithine decarboxylase (ODC)","Metabolism of steroid hormones","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent
 G1/S DNA damage checkpoint","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin
-like receptors)","Metabolism of vitamin K",Xenobiotics,"Pregnenolone biosynthesis","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","Synthesis of bile acids and bile salts","Mitotic 
Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated b
y CYP1A2","Biosynthesis of maresin-like SPMs","Stabilization of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-in
flammatory cytokines production","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by M
AP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CRYZ,NQO1,VKORC1}

> <broad_moa>
{"NADPH inhibitor"}

> <synonyms>
{RESTW78,dicumarol,dicoumarol,66-76-2,66762,Bishydroxycoumarin,dicoumarin,melitoxin,bis-hydroxycoumarin,bishydroxycoumarin,Antitrombosin,Baracoumin,Dicoumal,Dicumarine,Acadyl,Acavyl,Dicuman,Dicumol,Tr
ombosan,Dufalone,Kumoran,Temparin,Cumid,Cuma,"Dicumaol R",3,3'-Methylenebis(4,3'Methylenebis(4,T0809,1500239,Prestw-785,Dicumarol,DICUMAROL}

> <pdid>
PD002380

> <targets>
{PDHK}

> <classes>
{anticoagulant,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54676038}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
  9 22  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13392

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Quercetin

> <ctcr_id>
6759

> <supplier_cmpd_id>
T2174

> <smiles>
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O

> <pd_targets>
{CDK1,THRB,KMT2A,MEN1,USP2,RECQL,TSHR,FFP,LEF,ALOX15,CYP2C9,CYP1A2,HIF1A,HSD17B10,CYP3A4,KDM4E,GAA,POLB,FTL,AMPC,PTPN1,POL,FABZ,PIK3R1,FABI,CD38,MMP13,MPO,FLT3,PLAU,AURKB,XDH,LAP3,ACHE,NA,CSNK2A1,BCHE
,CA4,CA5A,CA5B,RET,CA1,MAPK14,MAPK10,EGFR,AKR1B1,HSD17B2,PIM1,ALOX5,ALOX12,PRSS1,PRSS2,PRSS3,AXL,NUAK1,EPHX2,PIK3CG,CA2,BACE1,CYP1B1,MAPT,CYP2C19,ALDH1A1,DPP3,CA3,PLK1,CYP1A1,CSNK2A2,CSNK2B,PMP22,ALD,
STAT6,CHRM1,CYP2D6,S,ADORA1,ADORA2A,PYGL,GLO1,ALK,DAPK1,NANH,ABCG2,AKR1C21,DPP4,HIF1AN,CA12,LPO,ELANE,MGAM,MGAM2,SI,IP6K2,CYP2C8,MAOB,PDE2A,PKN1,NEK2,UREB,MAPK1,CDK6,MMP2,MMP3,GSK3B,STK33,DRD4,AKR1A1,
CDK2,CYP19A1,APP,ELAVL3,MDH,GSK3A,FABG,MMP9,F2,SORD,HPGD,NPSR1,CALM1,GLR1,CDK5,ELAVL1,CTRB1,AKT1,NFKB1,APEX1,CELA1,REP,LCK,PREP,SRC,IPMK,ATP2A1,AVPR2,IGF1R,TOP2A,KDR,CA9,MMP12,NEK6,BLM,CAMK2B,PLA2G1B,
ABCB1,UREA,AMY1A,BRAF,SYK,LMNA,MAOA,PTGS1,PTGS2,CDK5R1,DDLB,MET,GALK1,DXR,PPO2,CTRC,CA7,CA14,KDM1A,CA6,PTK2,CA13,CSNK2A3,CCND1,CDK4,CCNB1,CCNB2,CCNB3,SLC16A1,CCR4,SLC2A2,ABCC4,PSMB5,GPR35,NOS2,NT5E,SL
C16A7,CXCR1,ABCC1,ADORA3,TRPC5,NOX4,SLC2A4,NQO2,CEBPB,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor","Unclassified protein","Other cytosolic protein",Transporter,"Other nuclear protein","Ion channel",Kinase,"Nuclear receptor",R
eader,Protease,"Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Cytochrome P450",Eraser,Hydrolase,Phosphatase,Lyase,"Primary active transporter",Phosphodiesterase,Isomerase,Ligase,"El
ectrochemical transporter","Voltage-gated ion channel","Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","Metallo protease","Cy
tochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Lysine demethylase","Protein Phosphatase","Serine protease","Aspartic protease","Small molecule receptor (family A GPCR)"
,"ATP-binding cassette","Phosphodiesterase 2","Cytochrome P450 family 19","P-type ATPase","SLC superfamily of solute carriers","Threonine protease","Transient receptor potential channel","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group A","Cysteine protease CA clan","Glycohormone receptor","Metallo protease MAE clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","C
ytochrome P450 family 3A","Jumonji domain-containing","Tyrosine protein phosphatase","Metallo protease MAM clan","TK protein kinase group","Serine protease PA clan","Other protein kinase group","Metal
lo protease MF clan","CAMK protein kinase group","Serine protease SC clan","Aspartic protease AA clan","Cytochrome P450 family 1B","Monoamine receptor","Cytochrome P450 family 2D","Nucleotide-like rec
eptor (family A GPCR)","TKL protein kinase group","ABCG subfamily","Phosphodiesterase 2A","AGC protein kinase group","Cytochrome P450 family 19A","Short peptide receptor (family A GPCR)","Calcium ATPa
se","ABCB subfamily","Lysine-specific demethylase","SLC16 family of monocarboxylate transporters","Chemokine receptor","SLC02 family of hexose and sugar alcohol transporters","ABCC subfamily","Threoni
ne protease PBT clan","Carboxylic acid receptor","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase CDK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine prote
ase C19 family","Metallo protease M34 family","Cytochrome P450 2C9","Cytochrome P450 1A1","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M10A subfamily","Tyrosine protein kinas
e PDGFR family","Serine protease S1A subfamily","Other protein kinase AUR family","Metallo protease M17 family","Other protein kinase CK2 family","Tyrosine protein kinase Ret family","CMGC protein kin
ase MAPK family","Tyrosine protein kinase EGFR family","CAMK protein kinase PIM family","Tyrosine protein kinase Axl family","CAMK protein kinase CAMK1 family","Serine protease S33 family","Aspartic p
rotease A1A subfamily","Cytochrome P450 1B1","Cytochrome P450 2C19","Metallo protease M49 family","Other protein kinase PLK family","Acetylcholine receptor","Cytochrome P450 2D6","Adenosine receptor",
"TKL protein kinase STKR family","CAMK protein kinase DAPK family","Serine protease S9B subfamily","Cytochrome P450 2C8","AGC protein kinase PKN family","Other protein kinase NEK family","CMGC protein
 kinase GSK family","CAMK protein kinase unique family","Dopamine receptor","Cytochrome P450 19A1","Neuropeptide receptor","AGC protein kinase AKT family","Tyrosine protein kinase Src family","Serine 
protease S9A subfamily","Vasopressin and oxytocin receptor","Tyrosine protein kinase InsR family","Tyrosine protein kinase VEGFR family","CAMK protein kinase CAMK2 family","TKL protein kinase RAF fami
ly","Tyrosine protein kinase Syk family","Tyrosine protein kinase Met family","Tyrosine protein kinase Fak family","CC chemokine receptor","Threonine protease T1A subfamily","Kynurenic acid receptor",
"CXC chemokine receptor","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CAMK prot
ein kinase NuaK subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Peptidases and proteinases","G protein-coupled receptors","Eicosanoid turnove
r","Cytochrome P450","Chromatin modifying enzymes","3.2.1.- Glycosidases",Phosphatases,"Glycerophospholipid turnover","Abscisic acid receptor complex","1.-.-.- Oxidoreductases","Catalytic receptors","
Acetylcholine turnover","Carbonic anhydrases",Hydrolases,"Transcription factors","Anti-infective targets","ATP-binding cassette transporter family","Catecholamine turnover","Cyclic nucleotide turnover
/signalling","P-type ATPases","DNA topoisomerases","SLC superfamily of solute carriers","L-Arginine turnover","Adenosine turnover","Voltage-gated ion channels","NADPH oxidases","CMGC: Containing CDK",
MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","CA: Cysteine (C) Peptidases","Glycoprotein hormone receptors",Lipoxygenases,"CYP2 family: drug metabolising subset","CYP1 family","CYP3 family
","1.14.11.- Histone demethylases","Protein tyrosine phosphatases non-receptor type (PTPN)","Phosphatidylinositol kinases","MA: Metallo (M) Peptidases","Receptor kinases","PA: Serine (S) Peptidases","
MF: Metallo (M) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","AA: Aspartic (A) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","STAT transcriptio
n factors","Acetylcholine receptors (muscarinic)","Viral protein targets","Adenosine receptors","ABCG subfamily","SC: Serine (S) Peptidases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","AGC: C
ontaining PKA",PKG,"PKC families","Dopamine receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","Neuropeptide S receptor","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","V
asopressin and oxytocin receptors","Phospholipase A<sub>2</sub>","ABCB subfamily","SLC16 family of monocarboxylate transporters","Chemokine receptors","SLC2 family of hexose and sugar alcohol transpor
ters","ABCC subfamily","PB: Threonine (T) Peptidases","Orphan and other 7TM receptors","Nitric oxide synthases","Transient Receptor Potential channels",Cyclooxygenase,"1I. Vitamin D receptor-like rece
ptors","Cyclin-dependent kinase (CDK) family","C19: Ubiquitin-specific protease","M10: Matrix metallopeptidase","TK: Tyrosine kinase","S1: Chymotrypsin","Other protein kinases","M17: Leucyl aminopepti
dase","Mitogen-activated protein kinases (MAP kinases)","PIM family","CAMK-like (CAMKL) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","A1: Pepsin","M49: Dipeptidyl-peptidase III","Co
ronavirus (CoV) proteins","Death-associated kinase (DAPK) family","S9: Prolyl oligopeptidase","Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","CAMK-unique family","Akt (Protein
 kinase B","PKB) family","CAMK2 family","TKL: Tyrosine kinase-like","Class I transporters","T1: Proteasome","Class A Orphans","CDK1 subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) f
amily","Casein kinase 2 (CK2) family","p38 subfamily","JNK subfamily","NuaK subfamily","Polo-like kinase (PLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","ERK subfamily","CD
K4 subfamily","GSK subfamily","CDK5 subfamily","Non-receptor tyrosine kinases (nRTKs)","RAF family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type I RTKs: ErbB (epid
ermal growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type II RTKs: Insuli
n receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Syk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Metabolism of proteins","Gene expression (Transcription)",Disease,Metabolism,"Cellular responses to external stimuli","DNA Repair","Vesicle-mediated transport","Immune System","Signal T
ransduction","Transport of small molecules","Developmental Biology","Neuronal System","Programmed Cell Death",Hemostasis,"Metabolism of RNA","Extracellular matrix organization",Mitotic,"Post-translati
onal protein modification","RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Biological oxidations","Cellular responses to stress","Metabolism of amino acids and derivativ
es","Diseases of metabolism","Base Excision Repair","Membrane Trafficking","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","In
nate Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of nucleotides","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Nervous system development","Cytoki
ne Signaling in Immune system","Signaling by GPCR","Amyloid fiber formation","Transmission across Chemical Synapses","Metabolism of carbohydrates","The citric acid (TCA) cycle and respiratory electron
 transport",Apoptosis,"Abacavir transport and metabolism","Peptide hormone metabolism","Platelet homeostasis","Signaling by Rho GTPases","Diseases of hemostasis","Processing of Capped Intron-Containin
g Pre-mRNA","Inositol phosphate metabolism","Degradation of the extracellular matrix","DNA Double-Strand Break Repair","Intracellular signaling by second messengers","Disorders of transmembrane transp
orters","Platelet activation","signaling and aggregation","SLC-mediated transmembrane transport","Regulation of mitotic cell cycle",SUMOylation,"Generic Transcription Pathway","Leishmania infection","
Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Branched-chain amino acid
 catabolism","Diseases of carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding","Signaling by FGFR in disease","Metabolism of water-soluble vitamins an
d cofactors","ROS and RNS production in phagocytes","Signaling by Insulin receptor","Neutrophil degranulation","M Phase","Nucleobase catabolism","Phospholipid metabolism","Erythrocytes take up carbon 
dioxide and release oxygen","Axon guidance","Signaling by Interleukins","Toll-like Receptor Cascades","GPCR downstream signalling","Metabolism of steroids","FLT3 signaling in disease","Signaling by VE
GF","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cytosolic sensors of pathogen-associate
d DNA","GPCR ligand binding","SARS-CoV Infections","Glycogen metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","Caspase activation via extrinsic apoptotic signalling pathway","Abacavir tra
nsmembrane transport","Incretin synthesis",secretion,"and inactivation","Complement cascade","Interferon Signaling","Nitric oxide stimulates guanylate cyclase","RHO GTPase Effectors","Influenza Infect
ion","Mitotic G1 phase and G1/S transition","Phase II - Conjugation of compounds","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Fructose metabolism","mRNA Splicing","
HIV Infection","Signaling by NTRKs","Synthesis of IPs in the nucleus","Platelet calcium homeostasis","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Collagen degradation","Homolog
y Directed Repair","Diseases of glycosylation","PIP3 activates AKT signaling","SLC transporter disorders","Response to elevated platelet cytosolic Ca2+","Infection with Mycobacterium tuberculosis","Fa
tty acid metabolism","Cellular hexose transport","Cellular Senescence","APC/C-mediated degradation of cell cycle proteins","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by TP
53","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydrox
ylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associat
ed Vesicle Biogenesis","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Nicotinate metabolism","Transcriptional regulation by RUNX2","Events associated with phagocytolytic activi
ty of PMN cells","Insulin receptor signalling cascade","Mitotic Metaphase and Anaphase","Purine catabolism","Glycerophospholipid biosynthesis","RET signaling","Interleukin-12 family signaling","Toll L
ike Receptor 5 (TLR5) Cascade","G alpha (q) signalling events","Metabolism of steroid hormones","Signaling by FLT3 ITD and TKD mutants","VEGFA-VEGFR2 Pathway","PI Metabolism","Transcriptional regulati
on by RUNX1","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","G2/M Transition","STING mediated induction of host immune responses","Class A/1 (Rhodopsin-like receptors)","SA
RS-CoV-1 Infection","Glycogen breakdown (glycogenolysis)","Pyruvate metabolism","Caspase activation via Dependence Receptors in the absence of ligand",Synthesis,"and inactivation of Glucagon-like Pept
ide-1 (GLP-1)","Regulation of Complement cascade","Interferon alpha/beta signaling","Amine Oxidase reactions","cGMP effects","RHO GTPases activate PKNs","Virus Assembly and Release","Cobalamin (Cbl","
vitamin B12) transport and metabolism","G1 Phase","EPH-Ephrin signaling","Glutathione conjugation","Defective factor VIII causes hemophilia A","Fructose biosynthesis","mRNA Splicing - Major Pathway","
Interleukin-1 family signaling","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Reduction of cytosolic Ca++ levels","IGF1R signaling cascade","G0 and Early G1","Regulation of gene expr
ession by Hypoxia-inducible Factor","Mitotic Prophase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Semaphorin interactions","Diseases associated with glycosylation p
recursor biosynthesis","PTEN Regulation","Parasite infection","Defective SLC16A1 causes symptomatic deficiency in lactate transport (SDLT)","Defective SLC2A2 causes Fanconi-Bickel syndrome (FBS)","Pla
telet degranulation","Response of Mtb to phagocytosis","Cell recruitment (pro-inflammatory response)","Arachidonic acid metabolism","Netrin-1 signaling","Senescence-Associated Secretory Phenotype (SAS
P)","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SUMOylation of intracellular receptors","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishman
ia parasite infection","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of maresins","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","MECP2 regulates n
euronal receptors and channels","FGFR1 mutant receptor activation","RUNX2 regulates genes involved in cell migration","IRS-mediated signalling","Mitotic Anaphase","Synthesis of PC","Interleukin-12 sig
naling","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","Pregnenolone biosynthesis","Estrogen biosynthesis","STAT5 activation downstream of FLT3 ITD mut
ants","Synthesis of PIPs at the plasma membrane","Endogenous sterols","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Ce
ntrosome maturation","STAT6-mediated induction of chemokines","Amine ligand-binding receptors","Translation of structural proteins","Nucleotide-like (purinergic) receptors","Biogenic amines are oxidat
ively deaminated to aldehydes by MAOA and MAOB","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Assembly of Viral Components at the Budding Site","Cy
clin D associated events in G1","EPH-ephrin mediated repulsion of cells","SARS-CoV-1 Genome Replication and Transcription","Defective F8 cleavage by thrombin","Biosynthesis of D-series resolvins","Int
erleukin-1 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","IRS-related events triggered by IGF1R","Transcription of E2F targets under negative control 
by DREAM complex","VEGFR2 mediated cell proliferation","Nuclear Envelope Breakdown","HDR through Homologous Recombination (HRR)","Acyl chain remodelling of PC","Sema4D in semaphorin signaling","Defect
ive GALK1 can cause Galactosemia II (GALCT2)","Regulation of PTEN gene transcription","Leishmania phagocytosis","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Purinergic si
gnaling in leishmaniasis infection","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Role of second messengers in netrin-1 signaling","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulatio
n of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Aromatic amines can be N-h
ydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Separation of Sister Chromatids","Regulation of TP53 Activity 
through Phosphorylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAP kinase activation","EGFR Transactivation by Gastrin","Biosynthesis of DPAn-3-derived 
13-series resolvins","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome","Muscar
inic acetylcholine receptors","Maturation of spike protein","Adenosine P1 receptors","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Repli
cation of the SARS-CoV-1 genome","Dopamine receptors","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS si
gnaling","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signalling to RAS","Activation of NIMA Kinases N
EK9",NEK6,NEK7,"Homologous DNA Pairing and Strand Exchange","Prolonged ERK activation events","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE) Reassembly","Sema4D mediated inhibition of cell at
tachment and migration","FCGR3A-mediated phagocytosis","Chemokine receptors bind chemokines","Inhibition of nitric oxide production","APC:Cdc20 mediated degradation of cell cycle proteins prior to sat
isfation of the cell cycle checkpoint","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Ras activation upon Ca2+ influx t
hrough NMDA receptor","Nef Mediated CD4 Down-regulation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-mediated activation","Initiation of Nuclear Envelope (
NE) Reformation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","ERKs are 
inactivated"}

> <broad_targets>
{ATP5A1,ATP5B,ATP5C1,HCK,HIBCH,PIK3CG,PIM1,STK17B,UGT3A1}

> <broad_moa>
{"polar auxin transport inhibitor"}

> <synonyms>
{quercetin,117-39-5,117395,Meletin,Sophoretin,Xanthaurine,Quercetine,Quercetol,"3,3',4',5,7-Pentahydroxyflavone","3,3',4',5,7Pentahydroxyflavone",Quercitin,Quertine,"2-(3,4-Dihydroxyphenyl)-3,5,7-trih
ydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)3,5,7trihydroxy4Hchromen4one","Flavin meletin","3,5,7,3',4'-Pentahydroxyflavone","3,5,7,3',4'Pentahydroxyflavone",Cyanidelo,T2174,1500672,Quercetin,QUERC
ETIN}

> <pdid>
PD001643

> <targets>
{"PI 3-K",Apoptosis,Autophagy,Mitophagy,PI3K,"Reactive Oxygen Species"}

> <classes>
{antioxidant. antineoplastic,anti-HIV,LD50(mouse) 159 mg/kg po,capillary protectant,Apoptosis,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,PI3K/Akt/mTOR}

> <pubchem_cids>
{5280343}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   11.4855   -3.3824    0.0000 H   0  3
    8.9855   -3.3824    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 N   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  2  3
  6  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13393

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Phenformin hydrochloride

> <ctcr_id>
4077

> <supplier_cmpd_id>
T1453

> <smiles>
[H+].[Cl-].NC(N)=NC(N)=NCCc1ccccc1

> <pd_targets>
{TSHR,CYP2D26,HIF1A,CYP2D6,LMNA,MAPT,SLC22A1,SLC22A2,PRKAA1,KCNJ8}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Other nuclear protein","Other cytosolic protein",Transporter,"Ion channel","Family A G protein-coupled receptor","Cytochrome P450","Electrochemical 
transporter",Kinase,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Protein Kinase","Potassium channels","Glycohormone r
eceptor","Cytochrome P450 family 2D","SLC22 family of organic cation and anion transporters","CAMK protein kinase group","Inwardly rectifying potassium channel","Cytochrome P450 2D2","Cytochrome P450 
2D6","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Glycoprotein ho
rmone receptors","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Organic cati
on transporters (OCT)","CAMK-like (CAMKL) family","Inwardly rectifying potassium channels","AMPK subfamily"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules","Gene expression (Transcription)","Infectious disease","Cellular responses to
 stress","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","SLC-mediated transmembrane transport","RNA Polymerase II Transcription","Potassium Channels","Leishmania infection","C
ellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal i
ons and amine compounds","Generic Transcription Pathway","Inwardly rectifying K+ channels","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor
 Alpha","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Organic cation/anion/zwitterion transport","Transcriptio
nal Regulation by TP53","ATP sensitive Potassium channels","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","O
rganic cation transport","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of
 NMDARs","Regulation of TP53 Activity through Phosphorylation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026750110,"PHENFORMIN HYDROCHLORIDE",834-28-6,834286,"Phenformin HCl","Phenethylbiguanide hydrochloride",Meltrol,Dipar,Meltrol-50,Meltrol50,"1-Phenethylbiguanide hydrochloride","1Phenethylbiguani
de hydrochloride","Phenformin (hydrochloride)","USAF VI-6","USAF VI6","Imidodicarbonimidic di",S2542,1505983,Prestw-179,"Phenformin hydrochloride"}

> <pdid>
PD009649

> <targets>
{AMPK}

> <classes>
{antidiabetic}

> <pubchem_cids>
{657277,13266}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0  2  0  0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0  2  0  0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0  1  0  0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0  1  0  0  0
   -2.3989    3.5086    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 10 13  1  0
 13 14  1  1
 13 15  1  0
 15  8  1  0
 15 16  1  1
  7 17  1  0
 17  4  2  0
 17 18  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13394

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
AICAR (Acadesine)

> <ctcr_id>
7173

> <supplier_cmpd_id>
T1477

> <smiles>
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N

> <pd_targets>
{KDM4E,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{ACADESINE,2627-69-2,2627692,AICAR,AICA-riboside,AICAriboside,Arasine,"AICA riboside",AIC-Riboside,AICRiboside,Acadesina,Acadesinum,"AICAR (Acadesine)",Protara,GP-1-110,GP1110,5-Amino-1-beta-D-ribofur
anosylimidazole-4-carboxamide,5Amino1betaDribofuranosylimidazole4carboxamide,UNII-53IEF47846,UNII53IEF47846,C9H14N4O5,5-Amino-1-beta-D-ribofuranosyl,5Amino1betaDribofuranosyl,S1802,Acadesine}

> <pdid>
PD000587

> <targets>
{AMPK}

> <classes>
{}

> <pubchem_cids>
{17513}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 65 68  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1429    9.0124    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 43  1  0
 48 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 13  1  0
 41 64  1  0
 64 65  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13395

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Rapamycin

> <ctcr_id>
3116

> <supplier_cmpd_id>
T1537

> <smiles>
COC1CC(CCC1O)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{FKBP1B,MAPT,FFP,FTL,TGR,RORC,FKBP1A,MTOR,NR1I2,FKBP5,EIF4E,ATP2A1,PDCD4,CYP2C9,CYP3A4,SLCO1B1,ABCB1,CYP2C19,FGF2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Secreted protein",Isomerase,Transferase,"Nuclear receptor",Kinase,"Primary active t
ransporter","Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase","P-type ATPase","Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfami
ly of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group I","Calcium ATPase","Cytochrome
 P450 family 2C","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein k
inase PIKK family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Kinases (EC 2.7.x.x)","P-type ATPases","Cytochrome P450","SLC superfamily of solute carriers","ATP-b
inding cassette transporter family","1F. Retinoic acid-related orphans",Atypical,"1I. Vitamin D receptor-like receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","CYP2 family: drug metabolising s
ubset","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,"Metabolism of proteins",Hemostasis,"Immune System",Metabolism,"Cardiac conduction","Tran
smission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Post-translational prote
in modification",Translation,"Platelet homeostasis","Cytokine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Ion homeostasis","Neurotra
nsmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer",SUMOylation,"Eukaryoti
c Translation Initiation","Platelet calcium homeostasis","Signaling by Interleukins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism 
of steroids","Abacavir transmembrane transport","Signaling by FGFR in disease","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation 
by RUNX3","Loss of Function of TGFBR1 in Cancer","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by MECP2","Cap-dependent Translation Initi
ation","Reduction of cytosolic Ca++ levels","Interleukin-12 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Si
gnaling by FGFR3 in disease","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 Activity","SUMOylation of in
tracellular receptors","MECP2 regulates neuronal receptors and channels","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Interleukin-12 signa
ling",Xenobiotics,"Biosynthesis of maresins","Recycling of bile acids and salts","Signaling by FGFR3 point mutants in cancer","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression a
nd Degradation","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
FGFR3 mutant receptor activation","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FKBP1A,MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{(RS)-rapamycin,(RS)rapamycin,"Rapamycin (Sirolimus)",28-epi-Rapamycin,28epiRapamycin,253431-35-5,253431355,SpecPlus_000840,SpecPlus000840,SpecPlus-000840,"SpecPlus 000840",DivK1c_006936,DivK1c006936,
DivK1c-006936,"DivK1c 006936","Rapamycin-d3 (Sirolimus-d3)","Rapamycind3 (Sirolimusd3)",CHEMBL3560003,KBio1_001880,KBio1001880,KBio1-001880,"KBio1 001880",HMS3265I15,HMS3265I16,HMS3265J15,HMS3265J16,3
92711-19-2,392711192,MCULE-7980881185,MCULE7980881185,Q27163,"EMD 553210",S1039,A-275,553210,Rapamycin(Sirolimus),Rapamycin}

> <pdid>
PD003274

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{5040}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5962   -4.1069    0.0000 O   0  0
   -8.9138   -4.8255    0.0000 P   0  0
  -10.1939   -4.0436    0.0000 O   0  0
  -10.2311   -5.5430    0.0000 O   0  0
   -8.9513   -6.3250    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  1  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  2  0
 13 20  1  0
 20 21  1  1
 20 22  1  0
 22 11  1  0
 22 23  1  1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13396

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Adenosine 5'-monophosphate

> <ctcr_id>
3712

> <supplier_cmpd_id>
T2133

> <smiles>
Nc1ncnc2n(cnc12)C3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O

> <pd_targets>
{PKM,PYK,RXFP1,CCK,FBP1,DNPH1,SRC,TRPM2,P2RY1,P2RY11,TRPM4,P2RY2,PRKAA1,PRKAB1,PRKAG1,AK2,ADORA2A,POL,PRKAA2,PRKAB2,PRKAG2,PRKAG3,SMN1,LDHA,ADORA1,CREB1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Secreted protein","Ion channel","Epigenetic regulator","Unclassified protein",Transferase,"Family A G protein-coupled receptor",Hydrolase,Kinase,"Voltage-gated ion channel
",Protease,Reader,Oxidoreductase,"Peptide receptor (family A GPCR)","Protein Kinase","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Aspartic protease","Methyl-lysine
/arginine binding protein","Protein kinase regulatory subunit","Relaxin-like peptide receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Monoamine-derivativ
e receptor (family A GPCR)","CAMK protein kinase group","Aspartic protease AA clan","Tudor domain","Relaxin receptor","Tyrosine protein kinase Src family","Purine receptor","Melatonin receptor","CAMK 
protein kinase CAMK1 family","Adenosine receptor","Aspartic protease A2A subfamily","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","2.7.1.40 Pyruvate kinases","G protein-coupled receptors","Catalytic receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Relaxin family peptide receptors"
,"Receptor kinases","Transient Receptor Potential channels","P2Y receptors","Receptor guanylyl cyclase (RGC) family","Adenosine receptors","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyr
osine kinase","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase","CAMK-like (CAMKL) family","Non-receptor tyrosine kinases (nRTKs)","AMPK subfamily","Src family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Transport of small molecules","Metabolism of RNA","Immune System","Gene expression (Transcription)","Metabolism of carbohydrates","Infectious disease","Signa
ling by GPCR","Metabolism of nucleotides","Signaling by Receptor Tyrosine Kinases","Ion channel transport","Metabolism of non-coding RNA","The citric acid (TCA) cycle and respiratory electron transpor
t","Innate Immune System","RNA Polymerase II Transcription","Glucose metabolism","Leishmania infection","GPCR ligand binding","Nucleobase catabolism","Signaling by NTRKs","Stimuli-sensing channels","I
nterconversion of nucleotide di- and triphosphates","snRNP Assembly","Pyruvate metabolism and Citric Acid (TCA) cycle","Toll-like Receptor Cascades","Generic Transcription Pathway",Glycolysis,"Leishma
nia parasite growth and survival","Class A/1 (Rhodopsin-like receptors)",Gluconeogenesis,"Purine catabolism","Signaling by NTRK1 (TRKA)","TRP channels","Pyruvate metabolism","Toll Like Receptor 5 (TLR
5) Cascade","Transcriptional Regulation by TP53","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","Signalling to ERKs","Nucleotide-like (purinerg
ic) receptors","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Signalling to RAS","P2Y receptors","Adenosine P1 re
ceptors","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","p38MAPK events","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
{ACSL1,ACSS1,ACSS2,ADCY1,ADK,CREB1,FBP1,HINT1,PDE4B,PDE4D,PIM1,PRKAA1,PRKAB1,PRKAB2,PYGL,TRPM4}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{SR-05000001747,SR05000001747,Spectrum_000075,Spectrum000075,Spectrum-000075,"Spectrum 000075",Spectrum2_001202,Spectrum2001202,Spectrum2-001202,"Spectrum2 001202",Spectrum3_000602,Spectrum3000602,Spe
ctrum3-000602,"Spectrum3 000602",Spectrum4_000804,Spectrum4000804,Spectrum4-000804,"Spectrum4 000804",Spectrum5_001461,Spectrum5001461,Spectrum5-001461,"Spectrum5 001461",BSPBio_002104,BSPBio002104,BS
PBio-002104,"BSPBio 002104",KBioGR_001287,KBioGR001287,KBioGR-001287,"KBioGR 001287",KBioSS_000475,KBioSS000475,KBioSS-000475,"KBioSS 000475",DivK1c_000570,DivK1c000570,DivK1c-000570,"DivK1c 000570",S
PECTRUM1500667,SPBio_000984,SPBio000984,SPBio-000984,"SPBio 000984",CHEMBL603764,SCHEMBL14478782,CHEBI:95121,HMS501M1,T0853L,T2133,1500667,"Adenosine 5'-monophosphate monohydrate","Adenosine 5'-monoph
osphate","ADENOSINE PHOSPHATE"}

> <pdid>
PD001648

> <targets>
{AMPK}

> <classes>
{vasodilator,neuromodulator}

> <pubchem_cids>
{83862}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 31  0  0  0  0            999 V2000
    3.8919   -5.2525    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4978   -0.7562    0.0000 N   0  0
    7.7969   -1.5062    0.0000 C   0  0
    9.0960   -0.7561    0.0000 C   0  0
    9.0959    0.7439    0.0000 O   0  0
    7.7969    1.4938    0.0000 C   0  0
    6.4979    0.7438    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21  8  1  0
 21 12  2  0
  4 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13397

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
KU55933

> <ctcr_id>
4896

> <supplier_cmpd_id>
T2685

> <smiles>
O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5

> <pd_targets>
{PIK3CB,ATM,PRKDC,PIK3CA,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK f
amily kinases","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Cell Cycle Checkpoints","Innate Immune System","Diseases of sign
al transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by Insulin receptor","G1/S DNA Damage Checkpoints","Cytosolic sensors of pathogen-associa
ted DNA","Signaling by FGFR in disease","Generic Transcription Pathway","Insulin receptor signalling cascade","p53-Dependent G1/S DNA damage checkpoint","STING mediated induction of host immune respon
ses","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","IRS-mediated signalling","p53-Dependent G1 DNA Damage Response","IRF3-mediated induction of type I IFN","FGFR1 mutant recepto
r activation","Regulation of TP53 Activity","PI3K Cascade","Stabilization of p53","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Autodegradation of the 
E3 ubiquitin ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{ATM,PRKDC}

> <broad_moa>
{"ATM kinase inhibitor"}

> <synonyms>
{KU-55933,KU55933,587871-26-9,587871269,"ATM Kinase Inhibitor",2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one,2Morpholino6(thianthren1yl)4Hpyran4one,"KU 55933",2-Morpholin-4-yl-6-thianthren-1-ylpyran
-4-one,2Morpholin4yl6thianthren1ylpyran4one,2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one,"KU-55933 (ATM Kinase Inhibitor)","KU55933 (ATM Kinase Inhibitor)",UNII-O,UNIIO,T2685,S1092,"EMD 118500","Se 
S1092",3544,118500}

> <pdid>
PD003488

> <targets>
{ATM,"ATM Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{5278396}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 57 60  0  0  1  0            999 V2000
   -8.8413   -2.4983    0.0000 C   0  0
   -9.6765   -1.2523    0.0000 O   0  0
   -9.0155    0.0951    0.0000 C   0  0  2  0  0  0
   -7.5187    0.1933    0.0000 C   0  0
   -6.8553    1.5387    0.0000 C   0  0  1  0  0  0
   -7.6888    2.7858    0.0000 C   0  0
   -9.1855    2.6876    0.0000 C   0  0
   -9.8489    1.3423    0.0000 C   0  0  1  0  0  0
  -11.3457    1.2441    0.0000 O   0  0
   -5.3575    1.6339    0.0000 C   0  0
   -4.5253    0.3848    0.0000 C   0  0
   -5.1910   -0.9594    0.0000 C   0  0
   -3.0300    0.4800    0.0000 C   0  0  1  0  0  0
   -2.2500    1.7900    0.0000 O   0  0
   -0.7700    1.7900    0.0000 C   0  0
    0.1282    0.5886    0.0000 O   0  0
   -0.3600    3.1800    0.0000 C   0  0  2  0  0  0
   -1.4000    4.1800    0.0000 C   0  0
   -1.0400    5.5700    0.0000 C   0  0
    0.3400    5.9800    0.0000 C   0  0
    1.3600    4.9600    0.0000 C   0  0
    0.9900    3.5700    0.0000 N   0  0
    2.0600    2.5800    0.0000 C   0  0
    1.8859    1.0901    0.0000 O   0  0
    3.3000    3.2800    0.0000 C   0  0
    3.3684    4.7784    0.0000 O   0  0
    4.5000    2.4500    0.0000 C   0  0  2  0  0  0
    4.6374    3.9437    0.0000 O   0  0
    4.3400    0.9300    0.0000 O   0  0
    5.6200    0.1000    0.0000 C   0  0  2  0  0  0
    5.5000   -1.4500    0.0000 C   0  0  2  0  0  0
    4.3000   -2.4200    0.0000 C   0  0
    4.5700   -3.9100    0.0000 C   0  0  1  0  0  0
    5.9693   -4.4504    0.0000 C   0  0
    3.4100   -4.8000    0.0000 C   0  0
    3.4100   -6.5900    0.0000 C   0  0
    1.2900   -6.0600    0.0000 C   0  0
   -0.4500   -6.6300    0.0000 C   0  0  1  0  0  0
   -0.7848   -8.0861    0.0000 C   0  0
    0.3142   -9.1081    0.0000 C   0  0
   -0.0202  -10.5704    0.0000 C   0  0
   -1.8700   -5.0300    0.0000 C   0  0
   -3.3364   -5.3457    0.0000 O   0  0
   -1.2100   -2.9100    0.0000 C   0  0
   -2.5600   -2.1500    0.0000 C   0  0  2  0  0  0
   -3.9640   -2.6781    0.0000 O   0  0
   -2.0600   -0.7300    0.0000 C   0  0  1  0  0  0
   -0.5813   -0.4783    0.0000 C   0  0
    4.3331   -7.7723    0.0000 C   0  0
    6.8303   -2.1506    0.0000 O   0  0
    7.6766   -1.6179    0.0000 C   0  0
    6.9800    0.7100    0.0000 C   0  0  2  0  0  0
    7.0800    2.2400    0.0000 C   0  0
    5.8600    3.0600    0.0000 C   0  0  1  0  0  0
    5.9875    4.5546    0.0000 C   0  0
    8.2040   -0.1575    0.0000 O   0  0
    8.1116   -1.1532    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  1
 10 11  2  0
 11 12  1  0
 13 11  1  1
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  6
 27 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  2  0
 38 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  6
 45 47  1  0
 47 13  1  0
 47 48  1  6
 36 49  1  0
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 30 52  1  0
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 56 57  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13398

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Tacrolimus

> <ctcr_id>
269

> <supplier_cmpd_id>
T2144

> <smiles>
CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC

> <pd_targets>
{MTOR,RORC,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,PPP3CA,FKBP5,FKBP1B,NR1I2,FTL,SF3B3,SLCO1B1,ABCC2,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Other nuclear protein",Transporter,Kinase,"Nuclear receptor","Cytochrome P450",Isomerase,Phosphatase,"Electrochemical transporter","Primary activ
e transporter","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Protein Phosphatase","SLC superfamily of solute carriers","ATP-binding cassette","Atypical protein ki
nase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine/threonine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","SLC21/SLCO family of organ
ic anion transporting polypeptides","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P4
50 3A5","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrome P450","Peptidyl-prolyl cis/trans isomerases","SLC superfamily of solute carriers","ATP-binding cassette t
ransporter family",Atypical,"1F. Retinoic acid-related orphans","CYP3 family","1I. Vitamin D receptor-like receptors","SLCO family of organic anion transporting polypeptides","ABCC subfamily","ABCB su
bfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Signal Transduction","Muscle contraction","Metabolism of proteins","Vesicle-mediated transport","Metabolism of RNA","RNA Polymerase II Transcript
ion","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Cardiac conduction","Post-translational protein modification","Memb
rane Trafficking","Metabolism of lipids","Processing of Capped Intron-Containing Pre-mRNA","Disorders of transmembrane transporters","Generic Transcription Pathway","Phase I - Functionalization of com
pounds","Signaling by TGF-beta Receptor Complex in Cancer","GPCR downstream signalling","Ion homeostasis",SUMOylation,"trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving me
diators (SPMs)","mRNA Splicing","Metabolism of steroids","ABC transporter disorders","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate
 type","Loss of Function of TGFBR1 in Cancer","G alpha (i) signalling events","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Golgi Associated Vesicle Biogenesis","B
iosynthesis of DHA-derived SPMs","mRNA Splicing - Major Pathway","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Ce
ll Migration",Xenobiotics,"TGFBR1 LBD Mutants in Cancer","Opioid Signalling","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Biosynthesis of maresins","Recy
cling of bile acids and salts","Synthesis of bile acids and bile salts","Regulation of TP53 Expression and Degradation","DARPP-32 events","Biosynthesis of maresin-like SPMs","Synthesis of bile acids a
nd bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{FKBP1A}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{tacrolimus,Fujimycin,Prograf,104987-11-3,104987113,Protopic,FK506,"Tacrolimus anhydrous",Advagraf,Modigraf,Protopy,Fk-506,Fk506,"Anhydrous Tacrolimus","tacrolimus (fk506)","FK 506",FR-900506,FR900506
,8-DEETHYL-8-(BUT-3-ENYL)-ASCOMYCIN,8DEETHYL8(BUT3ENYL)ASCOMYCIN,UNII-Y5L2157C4J,UNIIY5L2157C4J,"Astagraf XL",FR,T2144,S5003,1503968,Tacrolimus,TACROLIMUS}

> <pdid>
PD002855

> <targets>
{}

> <classes>
{"immune suppressant",antifungal}

> <pubchem_cids>
{445643}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0928    0.7442    0.0000 O   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13399

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
TG100-115

> <ctcr_id>
1500

> <supplier_cmpd_id>
T2672

> <smiles>
Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4

> <pd_targets>
{PIK3CA,PIK3CB,PIK3CD,AAK1,COQ8A,DYRK1A,MAP3K7,PIK3CG,EGFR,TNNI3K,ABL1,BRSK1,TYK2,STK16,PRKD3,MKNK2,CSNK1G1,TTK,MAP2K4,BRAF,CLK2,CSNK1A1,BRSK2,SRPK3,MAP3K19,CSNK1D,PTK6,RIOK1,CSNK1A1L,CLK1,ERBB2,LATS2
,GRK4,SRPK1,CSNK1G3,NEK1,PI4KB,PIK3C2G,MTOR,CSNK2A2,ERBB4,JAK1,MAP2K3,RPS6KA1,DYRK2,TAOK3,BMP2K,RIOK2,RIPK4,TAOK1,DYRK1B,RIPK2,MKNK1,CSNK1G2,PIP4K2B,LCK,CLK3,LATS1,RPS6KA6,CLK4,GAK,PIP4K2C,CSNK1E,PIP5
K1C,TRPM6,PIP5K1A,CSNK2A1,PIK3C2B,COQ8B,OXSR1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Transient receptor potential channel","Other protein kinase group","Atypical protein kinase group","CMGC protein 
kinase group","TKL protein kinase group","TK protein kinase group","CAMK protein kinase group","CK1 protein kinase group","STE protein kinase group","AGC protein kinase group","Other protein kinase NA
K family","CMGC protein kinase DYRK family","TKL protein kinase MLK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Abl family","CAMK protein kinase CAMK1 family","Tyrosine prot
ein kinase JakA family","CAMK protein kinase PKD family","CAMK protein kinase MAPKAPK family","CK1 protein kinase CK1 family","Other protein kinase TTK family","STE protein kinase STE7 family","TKL pr
otein kinase RAF family","CMGC protein kinase CLK family","CMGC protein kinase SRPK family","STE protein kinase STE11 family","Tyrosine protein kinase Src family","Atypical protein kinase RIO family",
"AGC protein kinase NDR family","AGC protein kinase GRK family","Other protein kinase NEK family","Atypical protein kinase PIKK family","Other protein kinase CK2 family","AGC protein kinase RSK family
","STE protein kinase STE20 family","TKL protein kinase RIPK family","Atypical protein kinase ABC1 family","CMGC protein kinase Dyrk1 subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase
 HH498 subfamily","CAMK protein kinase BRSK subfamily","CAMK protein kinase MNK subfamily","Atypical protein kinase RIO1 subfamily","CK1 protein kinase CK1-a","AGC protein kinase GRK subfamily","CK1 p
rotein kinase CK1-g","Atypical protein kinase FRAP subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase TAO subfamily","Atypical protein kinase RIO2 
subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase FRAY subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependen
t protein kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Phosphatidylinositol-4,"5-bisphosphate 3-kinase 
family","Other protein kinases","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","CAMK-like (CAMKL) family
","Protein kinase D (PKD) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Casein kinase 1 (CK1) family","STE7 family","CLK family","SRPK family","STE20 family","RIO family","NDR family","G p
rotein-coupled receptor kinases (GRKs)","1-phosphatidylinositol 4-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","RSK
 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Alpha kinase family","NAK family","ABC1-B
 subfamily","Dyrk1 subfamily","Mixed Lineage Kinase (MLK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","MKN subfamily","TTK family","RAF family",
"STE20 subfamily","RIO1 subfamily","GRK4 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","FRAP subfamily","Casein kinase 2 (CK2) family","RSK subfamily","Dyrk2 subfamily","TAO
 subfamily","Numb-associated kinase (NAK) family","RIO2 subfamily","Receptor interacting protein kinase (RIPK) family","ChaK subfamily","FRAY subfamily","TAK1 subfamily","Type I RTKs: ErbB (epidermal 
growth factor) receptor family","HH498 subfamily","Abl family","Janus kinase (JakA) family","Src family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Vesicle-mediated transport","Cell Cycle",Metabolism,"Metabolism of RNA","Developmental Biology","Gene expression (Transcription)","Neuronal System","Tra
nsport of small molecules","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Membrane T
rafficking",Mitotic,"Innate Immune System","Metabolism of lipids","Signaling by GPCR","Infectious disease","rRNA processing","Nervous system development","Signaling by Hippo","RNA Polymerase II Transc
ription","Transmission across Chemical Synapses","Ion channel transport","Signaling by FGFR in disease","Signaling by Insulin receptor","Signaling by Interleukins","Clathrin-mediated endocytosis","Mit
otic G1 phase and G1/S transition","Toll-like Receptor Cascades","Phospholipid metabolism","GPCR downstream signalling","Leishmania infection","Interferon Signaling","Sphingolipid metabolism","Signali
ng by NTRKs","Signaling by WNT in cancer","Mitotic G2-G2/M phases","rRNA processing in the nucleus and cytosol","Axon guidance","Generic Transcription Pathway","Neurotransmitter receptors and postsyna
ptic signal transmission","M Phase","Signaling by FGFR","HIV Infection","trans-Golgi Network Vesicle Budding","Stimuli-sensing channels","Signaling by FGFR1 in disease","Insulin receptor signalling ca
scade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Cargo recognition for clathrin-mediated endocytosis","G0 and Early G1","Toll Like Receptor 4 (TLR4) Cascade","PI Metabolism","G alpha (q) sig
nalling events","Parasite infection","Interferon alpha/beta signaling","Sphingolipid de novo biosynthesis","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Signaling by AMER1 mutants
","G2/M Transition","G1 Phase","Major pathway of rRNA processing in the nucleolus and cytosol","Semaphorin interactions","G alpha (i) signalling events","Transcriptional Regulation by TP53","Activatio
n of NMDA receptors and postsynaptic events","Antiviral mechanism by IFN-stimulated genes","Mitotic Metaphase and Anaphase","Signaling by FGFR4","Host Interactions of HIV factors","Golgi Associated Ve
sicle Biogenesis","TRP channels","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","MyD88-independent TLR4 cascade","Synthesis of PIPs at the plasma mem
brane","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phagocytosis","Regulation of IFNA signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","Truncations of AME
R1 destabilize the destruction complex","Centrosome maturation","Cyclin D associated events in G1","Sema4D in semaphorin signaling","Visual phototransduction","Synthesis of PIPs at the Golgi membrane"
,"Regulation of TP53 Activity","Post NMDA receptor activation events","ISG15 antiviral mechanism","Mitotic Anaphase","Negative regulation of FGFR4 signaling","The role of Nef in HIV-1 replication and 
disease pathogenesis","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","EGFR Tran
sactivation by Gastrin","FCGR3A-mediated phagocytosis","MAP kinase activation","Prolonged ERK activation events","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Sema4D induced cell migration and growth-cone collapse","The phototransduction cascade","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","Long-te
rm potentiation","Separation of Sister Chromatids","Spry regulation of FGF signaling","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface receptors by recru
iting them to clathrin adapters","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","JNK (c-Jun kinases) 
phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes",Inactivation,"recovery and regulation of the phototransduction casca
de","Regulation of TP53 Degradation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regul
ation","RSK activation","CREB phosphorylation"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{G10011,TG100-115,TG100115,677297-51-7,677297517,TG-100115,"3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol","3,3'(2,4diaminopteridine6,7diyl)diphenol","3,3'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)BISPHENOL","3,
3'(2,4DIAMINO6,7PTERIDINEDIYL)BISPHENOL","6,7-Bis(3-hydroxyphenyl)pteridine-2,4-diamine","6,7Bis(3hydroxyphenyl)pteridine2,4diamine","3-(2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl)phenol","3(2,4diam
ino7(3hydroxyphenyl)pteridin6yl)phenol",TG-100-115,UN,T2672,S1352}

> <pdid>
PD003378

> <targets>
{NULL,PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10427712}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 35 40  0  0  0  0            999 V2000
    3.1476   -0.7184    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    3.7186    4.2647    0.0000 C   0  0
    3.6065    5.7605    0.0000 C   0  0
    2.2550    6.4113    0.0000 C   0  0
    1.0157    5.5663    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5242    2.0130    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -3.1476   -0.7184    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -3.0000   -2.8580    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 N   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5031   -5.4549    0.0000 N   0  0
    3.0039   -5.4528    0.0000 C   0  0
    3.8680   -6.6633    0.0000 C   0  0
    5.2929   -6.1948    0.0000 N   0  0
    5.2877   -4.6948    0.0000 N   0  0
    3.8595   -4.2363    0.0000 C   0  0
    6.5101   -7.0727    0.0000 C   0  0
    6.4705   -8.5672    0.0000 C   0  0
    7.7497   -9.3506    0.0000 C   0  0
    9.0677   -8.6345    0.0000 N   0  0
    9.1066   -7.1350    0.0000 C   0  0
    7.8274   -6.3516    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 23  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 21 34  1  0
 34 35  2  0
 35  2  1  0
 35 17  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13400

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
HTH-01-015

> <ctcr_id>
13613

> <supplier_cmpd_id>
T2374

> <smiles>
Cn1c2cc3ccccc3cc2c(=O)n(C)c2c(C)nc(Nc3cn(nc3)C3CCNCC3)nc12

> <pd_targets>
{NUAK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","NuaK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{NUAK1}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{TH0101,HTH-01-015,HTH01015,1613724-42-7,1613724427,"HTH 01 015",GTPL8977,CHEMBL4303250,SCHEMBL16065674,BCP14400,EX-A1038,EXA1038,HTH01-015,s7318,AKOS026750455,ZINC214463354,CCG-269434,CCG269434,CS-33
44,CS3344,"HTH 01-015","HTH 01015",NCGC00389591-02,NCGC0038959102,NCGC00389591-08,NCGC0038959108,AC-32959,AC32959,AK316255,AS-75146,AS75146,DA-43721,DA43721,HY-123,HY123,T2374}

> <pdid>
PD012986

> <targets>
{NUAK,NUAK1,NUAK2,AMPK}

> <classes>
{PI3K/Akt/mTOR signaling,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{78357766}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    7.8125   -5.9872    0.0000 C   0  0
    9.1087   -5.2323    0.0000 O   0  0
    7.8187   -7.4880    0.0000 C   0  0
    7.8242   -8.9880    0.0000 C   0  0
    6.5226   -8.2430    0.0000 C   0  0
    9.1204   -8.2335    0.0000 N   0  0
    6.5102   -5.2414    0.0000 N   0  0
    6.5040   -3.7405    0.0000 C   0  0
    5.2034   -2.9932    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4978   -0.7405    0.0000 C   0  0
    7.7984   -1.4879    0.0000 C   0  0
    7.8015   -2.9878    0.0000 C   0  0
    3.8990   -0.7455    0.0000 S   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.5988    0.0025    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 O   0  0
   -5.1903   -1.4829    0.0000 C   0  0
   -0.0128   -6.0039    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 10 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  1  0
 26 33  1  0
 21 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13401

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Pilaralisib

> <ctcr_id>
11405

> <supplier_cmpd_id>
T2365

> <smiles>
C(=O)(C(C)(C)N)Nc1cc(ccc1)S(=O)(=O)Nc1nc2c(nc1Nc1c(ccc(c1)OC)Cl)cccc2

> <pd_targets>
{PIK3CB,PIK3CA,PIK3CG,PIK3C3,PIK3CD,PRKDC,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol 3-kinase family","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Immune System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lip
ids","Cytokine Signaling in Immune system","Innate Immune System","Signaling by Insulin receptor","Signaling by FGFR in disease","Phospholipid metabolism","Signaling by Interleukins","Cytosolic sensor
s of pathogen-associated DNA","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","STING mediated induction of host
 immune responses","IRS-mediated signalling","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRF3-mediated induction of type I IFN",
"PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{Pilaralisib,934526-89-3,934526893,XL-147,XL147,SAR-245408,SAR245408,"Pilaralisib (XL147)",UNII-60ES45KTMK,UNII60ES45KTMK,60ES45KTMK,"Pilaralisib (USAN:INN)","Pilaralisib, SAR245408",SCHEMBL189422,CHE
MBL3360203,SCHEMBL14921345,SCHEMBL16154579,EX-A196,EXA196,AMY10846,BCP15312,BDBM50197062,MFC,T2365}

> <pdid>
PD012456

> <targets>
{PI3K,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{56599306}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
   -2.6917   -6.3197    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0031    0.0000 O   0  0
    3.8976    0.7554    0.0000 O   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.7558   -9.1703    0.0000 C   0  0
   -1.2885  -10.5957    0.0000 F   0  0
   -3.2239   -8.8628    0.0000 F   0  0
   -2.7564  -10.2879    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  3 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  2  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13402

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
GSK-2636771

> <ctcr_id>
257

> <supplier_cmpd_id>
T2073

> <smiles>
Cc1c(Cn2c(C)nc3c(cc(cc23)N4CCOCC4)C(=O)O)cccc1C(F)(F)F

> <pd_targets>
{PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{PIK3CB}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{HMS3749O03,GSK2636771,1372540-25-4,1372540254,GSK-2636771,UNII-DW94IAT0LS,UNIIDW94IAT0LS,DW94IAT0LS,"GSK 2636771","1372540-25-4 (free base)","1372540254 (free base)",cc-414,cc414,MLS006011177,GTPL796
7,SCHEMBL1280998,CHEMBL3188551,DTXSID10160124,EX-A434,EXA434,QCR-187,QCR187,HMS3653H17,HMS3673E13,AMY24240,AOB87319,T2073,17380,S8002}

> <pdid>
PD003642

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{56949517}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 C   0  0
   -5.8532   -1.3040    0.0000 N   0  0
   -5.1009   -2.6017    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1041   -2.6062    0.0000 N   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
   -9.6042   -0.0082    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 N   0  0
  -11.8550   -1.3042    0.0000 C   0  0
  -12.6072   -2.6020    0.0000 O   0  0
  -12.6036   -0.0034    0.0000 N   0  0
  -14.1036   -0.0004    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 11 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 20 34  2  0
 34 35  1  0
 35 18  1  0
 35 36  2  0
 36  9  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13403

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
CUDC-907

> <ctcr_id>
6846

> <supplier_cmpd_id>
T2078

> <smiles>
COc1ccc(cn1)c2nc(N3CCOCC3)c4sc(CN(C)c5ncc(cn5)C(=O)NO)cc4n2

> <pd_targets>
{HDAC11,HDAC2,HDAC7,HDAC10,HDAC6,PIK3CD,HDAC1,PIK3CB,PIK3CG,PIK3R1,MTOR,HDAC3,PIK3CA,HDAC4,HDAC9,HDAC8,HDAC5,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Transferase,Kinase,"Histone deacetylase","Protein Kinase","HDAC class IV","HDAC class I","HDAC class IIa","HDAC class IIb","Atypical protein kinase group","Atypic
al protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phospha
tidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Immune System","Signal Transduction",Metabolism,"Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymer
ase II Transcription","Cytokine Signaling in Immune system","Disorders of Developmental Biology","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids",Mitotic,"Signaling by NOTCH1 in Cancer"
,"Generic Transcription Pathway","Signaling by Interleukins","Disorders of Nervous System Development","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease","M Phase
","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX2",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Pervasive develo
pmental disorders","Insulin receptor signalling cascade","PI Metabolism","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Reg
ulation of TP53 Activity","RUNX2 regulates bone development","Interleukin receptor SHC signaling","Loss of function of MECP2 in Rett syndrome","IRS-mediated signalling","Synthesis of PIPs at the plasm
a membrane","FGFR1 mutant receptor activation","Mitotic Anaphase","Regulation of TP53 Activity through Acetylation","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-D
NA","PI3K Cascade","Regulation of TP53 Expression and Degradation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Signaling by cytosolic FGFR1 fusion mutants","RUNX2 regulates chondrocyte m
aturation","Separation of Sister Chromatids","Regulation of TP53 Degradation"}

> <broad_targets>
{HDAC2,PIK3R1}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{UDC90,QC-11642,QC11642,CUDC-907,CUDC907,1339928-25-4,1339928254,Fimepinostat,"CUDC 907","PI3K/HDAC Inhibitor",UNII-3S9RX35S5X,UNII3S9RX35S5X,3S9RX35S5X,CHEMBL3622533,"Fimepinostat (USAN)","Fimepinost
at (USAN/INN)","PI3K/HDAC Inhibitor centn",MLS006010994,GTPL8952,SCHEMBL1284705,AOB6775,T2078,S2759}

> <pdid>
PD010586

> <targets>
{PI3K,HDAC,Apoptosis}

> <classes>
{Cytoskeletal Signaling,Apoptosis,Cell Cycle/DNA Damage,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{54575456}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 36 42  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -3.8990   -0.7525    0.0000 C   0  0
   -4.2128    0.7135    0.0000 C   0  0
   -5.7049    0.8679    0.0000 C   0  0
   -6.3128   -0.5034    0.0000 N   0  0
   -1.2962   -3.7484    0.0000 F   0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 S   0  0
    2.5550    4.4193    0.0000 C   0  0
    4.0558    4.4171    0.0000 N   0  0
    4.8104    5.7135    0.0000 C   0  0
    6.3104    5.7083    0.0000 C   0  0
    7.0559    4.4067    0.0000 N   0  0
    6.3014    3.1102    0.0000 C   0  0
    4.8014    3.1155    0.0000 C   0  0
    8.5567    4.3984    0.0000 C   0  0
    9.3008    3.0950    0.0000 C   0  0
   10.5494    2.4154    0.0000 C   0  0
    9.2451    1.6745    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
  8 16  1  0
  3 17  1  0
 17 18  2  0
 18 19  1  0
 19  2  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
  1 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13404

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
PI3065

> <ctcr_id>
11407

> <supplier_cmpd_id>
T2083

> <smiles>
c1(c2c(nc(n1)c1c(ccc3c1cc[nH]3)F)cc(s2)CN1CCN(CC1)CC1CC1)N1CCOCC1

> <pd_targets>
{PIK3CA,PIK3R1,PIK3CB,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Signaling by Interleukins","Insulin receptor sign
alling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","Interleukin receptor SHC signaling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI-3065,PI3065,955977-50-1,955977501,"PI 3065",CHEMBL4450504,GTPL8242,SCHEMBL2468696,EX-A531,EXA531,AOB87791,BCP12801,BDBM50507818,MFCD28167771,s7623,AKOS025404833,ZINC144899724,CCG-269751,CCG269751,
LM-3414,LM3414,PI-3065|PI3065,PI3065|PI3065,NCGC00386429-03,NCGC0038642903,AC-30278,AC30278,AK174780,AS-55952,AS55952,DA-40130,DA40130,H,T2083}

> <pdid>
PD013000

> <targets>
{PI3K,DNA-PK,mTOR,p110¦Á,p110¦Â,p110¦Ä}

> <classes>
{"DNA Damage/DNA Repair","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{24937012}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    8.0760    0.1161    0.0000 O   0  0
    7.8072    1.5919    0.0000 C   0  0
    8.8431    2.6767    0.0000 N   0  0
    6.3207    1.7923    0.0000 N   0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 10  1  0
 15 16  2  0
 16  7  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  4  1  0
 23 17  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13405

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
INK 128

> <ctcr_id>
2906

> <supplier_cmpd_id>
T1838

> <smiles>
CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14

> <pd_targets>
{PIK3CD,MTOR,PIK3CA,PIK3C3,PIK3CB,PIK3CG,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidyl
inositol 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"Signal Transduction",Metabolism,"Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Diseases of signal transduction by 
growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Signaling by Interleukins","Generic Transcription Pathway","Signaling by FGFR in disease
","Signaling by Insulin receptor","Phospholipid metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor si
gnalling cascade","PI Metabolism","Interleukin receptor SHC signaling","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","Synthesis of PIPs at the plasma membr
ane","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CD,PIK3CG}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{1224844-38-5,1224844385,Sapanisertib,INK-128,INK128,MLN0128,"INK 128","INK 128 (MLN0128)",TAK-228,TAK228,MLN-0128,UNII-JGH0DF1U03,UNIIJGH0DF1U03,"Sapanisertib (MLN0128)",JGH0DF1U03,C15H15N7O,"Sapanis
ertib; INK128","Sapanisertib (USAN/INN)","Sapanisertib (USAN:INN)",MLS006011012,T1838,S2811}

> <pdid>
PD010560

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{45375953}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 I   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -3.9039    3.7478    0.0000 C   0  0
   -3.9049    5.2478    0.0000 C   0  0
   -2.6064    5.9986    0.0000 C   0  0
   -1.3068    5.2495    0.0000 C   0  0
   -0.0060    5.9981    0.0000 N   0  0
    1.2932    5.2467    0.0000 C   0  0
    1.2915    3.7467    0.0000 O   0  0
    2.5940    5.9953    0.0000 N   0  0
    3.9458    5.3752    0.0000 C   0  0
    4.9487    6.4905    0.0000 C   0  0
    4.1979    7.7891    0.0000 C   0  0
    2.7309    7.4763    0.0000 C   0  0
   -1.3058    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -5.2094   -7.4959    0.0000 O   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.1283  -10.6088    0.0000 S   0  0
   -4.6648  -12.0354    0.0000 C   0  0
   -3.1648  -12.0354    0.0000 C   0  0
   -2.7012  -10.6088    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 11 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13406

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
BX795

> <ctcr_id>
5248

> <supplier_cmpd_id>
T1830

> <smiles>
Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4sccc4

> <pd_targets>
{IKBKE,PDPK1,GSK3B,CHEK1,KDR,CDK2,TBK1,PRKACA,PRKACB,PRKACG,PRKAR1A,PRKAR1B,PRKAR2A,PRKAR2B,PDK1,CGAS,ULK1,ULK2}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TK protein kinase group","Atypical protein 
kinase group","AGC protein kinase PDK1 subfamily","CMGC protein kinase GSK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other pro
tein kinase IKK family","Atypical protein kinase PDHK subfamily","Other protein kinase ULK family","CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cyclic nucleotide turnover/signalling","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,"Cyclic GMP-AMP synthase","Other protein kinases","PDK1 family","Glycogen synthase kinase (GSK) family","CAMK-like (CAMKL) fam
ily","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","PDHK family","IKK family","GSK subfamily","CHK1 subfamily","Receptor tyrosine kinases (RTKs)","CDK1 s
ubfamily","Unc-51-like kinase (ULK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"DNA Repair","Signal Transduction",Metabolism,Autophagy,"Innate Immune System","RNA Polymerase II Transcription","Infectious disease","DNA Do
uble-Strand Break Repair","Signaling by Receptor Tyrosine Kinases","The citric acid (TCA) cycle and respiratory electron transport",Macroautophagy,"Toll-like Receptor Cascades","Generic Transcription 
Pathway","SARS-CoV Infections","Homology Directed Repair","Signaling by VEGF","Pyruvate metabolism and Citric Acid (TCA) cycle","Cytosolic sensors of pathogen-associated DNA","Selective autophagy","To
ll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","VEGFA-VEGFR2 Pathway","Pyr
uvate metabolism","STING mediated induction of host immune responses",Mitophagy,"MyD88-independent TLR4 cascade","Regulation of TP53 Activity","SARS-CoV-1 Genome Replication and Transcription","HDR th
rough Homologous Recombination (HRR)","VEGFR2 mediated cell proliferation","Regulation of pyruvate dehydrogenase (PDH) complex","Receptor Mediated Mitophagy","TRIF(TICAM1)-mediated TLR4 signaling","Re
gulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Homologous DNA Pairing and Strand Exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Regulation of T
P53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CDK2,CHEK1,GSK3B,KDR,PDK1,PDPK1}

> <broad_moa>
{"IKK inhibitor"}

> <synonyms>
{702675-74-9,702675749,BX795,BX-795,"BX 795",C23H26IN7O2S,BX7,"BX-795 hydrochloride","BX795 hydrochloride",cc-617,cc617,MLS006011190,CHEMBL577784,GTPL8006,SCHEMBL3865995,BDBM17051,CHEBI:91439,AOB2187,
DTXSID50435186,EX-A262,EXA262,SYN1026,BCPP000310,HMS3244G15,HMS3244G16,HMS3244H15,HMS3651A07,HM,T1830,SY-BX795}

> <pdid>
PD011033

> <targets>
{PDK1 TBK1,PDK1/TBK1,Autophagy,IKK,PDK-1}

> <classes>
{Autophagy,NF-ºB,PI3K/Akt/mTOR}

> <pubchem_cids>
{10077147}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.8010    1.4796    0.0000 N   0  0
   -9.0971    0.7229    0.0000 C   0  0
   -9.0893   -0.7771    0.0000 O   0  0
  -10.4010    1.4661    0.0000 N   0  0
  -11.7502    0.8404    0.0000 C   0  0
  -12.7578    1.9516    0.0000 C   0  0
  -12.0123    3.2533    0.0000 C   0  0
  -10.5440    2.9465    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.7508   -7.4791    0.0000 C   0  0
   -4.2191   -7.7859    0.0000 N   0  0
   -4.9646   -6.4843    0.0000 C   0  0
   -3.9570   -5.3730    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13407

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
BX912

> <ctcr_id>
11409

> <supplier_cmpd_id>
T1837

> <smiles>
Brc1cnc(Nc2cc(NC(=O)N3CCCC3)ccc2)nc1NCCc1cnc[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CDK2,CHEK1,GSK3B,KDR,PDK1,PDPK1}

> <broad_moa>
{"pyruvate dehydrogenase kinase inhibitor"}

> <synonyms>
{BRD-K49669041-001-01-9,BRDK49669041001019,Q27075611,BX-912,BX912,702674-56-4,702674564,"BX 912",C20H23BrN8O,"CID 11754511",cc-391,cc391,MLS006011015,GTPL8007,SCHEMBL3869633,CHEMBL3916849,SCHEMBL15825
412,BDBM17052,CHEBI:91357,AOB2905,DTXSID30471901,EX-A945,EXA945,SYN1027,BCPP000309,HMS3244G1,T1837}

> <pdid>

> <targets>
{CDK2/CyclinE,Chk1,PDK1,PKA,VEGFR2?(KDR)}

> <classes>
{Angiogenesis,"Cell Cycle/Checkpoint","GPCR/G Protein","PI3K/Akt/mTOR signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11754511}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 20 23  0  0  0  0            999 V2000
    4.6379    5.2745    0.0000 Br  0  0
    4.3480    3.8028    0.0000 C   0  0
    5.4777    2.8159    0.0000 C   0  0
    5.1878    1.3442    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5242    2.0130    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    2.9286    3.3180    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  7  1  0
 18 13  1  0
  8 19  1  0
 19  5  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13408

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
KenPaullone

> <ctcr_id>
489

> <supplier_cmpd_id>
T2247

> <smiles>
Brc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1

> <pd_targets>
{MARK3,CCNB1,CDK1,ALDH1A1,KMT2A,MEN1,TP53,HTT,CYP2D6,GMNN,CDC42BPA,PLK4,LIMK1,CDC7,FLT4,CDK2,GSK3B,SRC,AURKB,CCNA1,CCNA2,CHEK1,CDK5,CDK5R1,CSNK2A1,CHEK2,MAPT,CHRM1,CYP1A2,ABL1,MARK2,FLT1,LCK,MAPK3,NFK
B1,RAB9A,SMN1,NPC1,THPO,DYRK1A,LMNA,CCNB2,CCNB3,PFMRK,PIM1,PDPK1,STK3,KDR,TSHR,HIF1A,CYP3A4,AURKA,LYN,MAPK1,THRB,NFO,RORC,BLM,CSF1R,NIN,GSK3A,ROCK2,KDM4E,PYK,FYN,HSD17B10,PMP22,PKM,CYP2C9,FLT3,ROCK1,M
TOR,CCNT1,CDK9}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Unclassified protein","Other cytosolic protein","Membrane receptor",Transporter,"Other nuclear protein",Kinase,Protease,Oxidoreductase,Reader,"Cy
tochrome P450","Family A G protein-coupled receptor",Hydrolase,"Nuclear receptor",Eraser,Transferase,"Protein Kinase","Cysteine protease",Bromodomain,"Cytochrome P450 family 2","Small molecule recepto
r (family A GPCR)","Cytochrome P450 family 1","Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Lysine deme
thylase","CAMK protein kinase group","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2D","AGC protein kinase group","Other protein kinase group","TKL protein kinase gro
up","TK protein kinase group","Monoamine receptor","Cytochrome P450 family 1A","Tudor domain","STE protein kinase group","Glycohormone receptor","Cytochrome P450 family 3A","Nuclear hormone receptor s
ubfamily 1 group A","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","Cytochrome P450 family 2C","Atypical protein kinase group","CAMK protein kinase CAMK1 family","CMGC prot
ein kinase CDK family","Cysteine protease C1A family","Cytochrome P450 2D6","AGC protein kinase DMPK family","Other protein kinase PLK family","TKL protein kinase LISK family","Other protein kinase CD
C7 family","Tyrosine protein kinase VEGFR family","CMGC protein kinase GSK family","Tyrosine protein kinase Src family","Other protein kinase AUR family","Other protein kinase CK2 family","CAMK protei
n kinase RAD53 family","Acetylcholine receptor","Cytochrome P450 1A1","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","CMGC protein kinase DYRK family","CAMK protein kinase PIM 
family","AGC protein kinase PDK1 subfamily","STE protein kinase STE20 family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group 
F member 3","Tyrosine protein kinase PDGFR family","Cytochrome P450 2C9","Atypical protein kinase PIKK family","CAMK protein kinase MARK subfamily","CMGC protein kinase CDC2 subfamily","AGC protein ki
nase GEK subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK5 subfamily","CMGC protein kinase Dyrk1 subfamily","STE 
protein kinase MST subfamily","AGC protein kinase ROCK subfamily","Tyrosine protein kinase SrcA","Atypical protein kinase FRAP subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Cytochrome P450","Catalytic receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Nuclear hormone receptors","Chromatin
 modifying enzymes","2.7.1.40 Pyruvate kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CYP2 family: drug metabolising subset","AGC: Containing PKA",PKG,"PKC families","Receptor kinases"
,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","CYP1 family","SLC65 NPC-type cholesterol transporters","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases","Glycoprotein hormone receptors","CYP3 family","1A. Thyroid hormone receptors","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases",Atypical,"CAMK-like (CAMKL) family","DM
PK family","Other protein kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Glycogen synthase kinase (GSK) family","Mitogen-activated protein kinases (
MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","PIM family","PDK1 family","STE20 family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","
MARK subfamily","GEK subfamily","Polo-like kinase (PLK) family","LIM domain kinase (LISK) family","CDC7 family","Receptor tyrosine kinases (RTKs)","CDK1 subfamily","GSK subfamily","Non-receptor tyrosi
ne kinases (nRTKs)","Aurora kinase (Aur) family","CHK1 subfamily","Casein kinase 2 (CK2) family","ERK subfamily","CDK5 subfamily","Dyrk1 subfamily","MST subfamily","Rho kinase","FRAP subfamily","LIMK 
subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Gene expression (Transcription)","Developmental Biology","Signal Transduction","DNA Repair","Neuronal System","Immune System","Metabolism of RNA","Transport of small 
molecules",Hemostasis,"Cellular responses to external stimuli","Metabolism of proteins","Diseases of signal transduction by growth factor receptors and second messengers","Biological oxidations","Cell
 Cycle Checkpoints","RNA Polymerase II Transcription",Mitotic,"Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","DNA Double-Strand Break Repair","Transmission 
across Chemical Synapses","Signaling by GPCR","Innate Immune System","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Metabolism of non-coding RNA","Plasma lipoprotein assembly",remod
eling,"and clearance","Platelet activation","signaling and aggregation","Signaling by Hippo","Cellular responses to stress","Metabolism of lipids","Post-translational protein modification","Metabolism
 of amino acids and derivatives","Metabolism of carbohydrates","Oncogenic MAPK signaling","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Mito
tic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Axon guidance","Signaling by VEGF","SARS-CoV Infections","Signaling by NTRKs","M Phase","Homology Directed Repair","Neurotransmitter recepto
rs and postsynaptic signal transmission","GPCR ligand binding","Leishmania infection","HIV Infection","Toll-like Receptor Cascades","Signaling by Interleukins","Rho GTPase cycle","snRNP Assembly","Pla
sma lipoprotein clearance","Platelet Aggregation (Plug Formation)","FLT3 signaling in disease","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"B
ranched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Glucose metabolism","Signaling by Insulin receptor","Regulation of mitotic cell cycle","Signaling
 by RAS mutants","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Cytochrome P450 - arranged by substrate type","G1/S Transition","G2/M Transition"
,"Semaphorin interactions","VEGF ligand-receptor interactions","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","Signaling by NTRK1 (TRKA)","Mitotic Metaphase and Anaphase","HDR through Hom
ologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Parasite infection","Host Interactions of H
IV factors","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","RHOBTB GTPase Cycle","LDL clearance","G0 and Early G1","Signaling by FLT3 ITD and TKD mutants","VEGFA-VEGFR2 Pathway
","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","T
ranscriptional regulation by RUNX3","Transcriptional Regulation by VENTX",Glycolysis,"Insulin receptor signalling cascade","APC/C-mediated degradation of cell cycle proteins","Signaling downstream of 
RAS mutants","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity",Xenobiotics,"Activation of the pre-replicative complex","Centrosome maturation","Sema4D in semaphorin 
signaling","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","SARS-CoV-1 Genome Replication and Transcription","Signalling to ERKs","Mitotic Anaphase","HDR through H
omologous Recombination (HRR)","Post NMDA receptor activation events","Amine ligand-binding receptors","Leishmania phagocytosis","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 
cascade initiated on plasma membrane","Interleukin-1 signaling","RHOBTB3 ATPase cycle","STAT5 activation downstream of FLT3 ITD mutants","VEGFR2 mediated cell proliferation","Anti-inflammatory respons
e favouring Leishmania parasite infection","Biosynthesis of maresins","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","IRS-mediated signalling","Activatio
n of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Stabilization of p53","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","
Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Signalling to RAS","Separation of Sister Chromatids","Ho
mologous DNA Pairing and Strand Exchange","Regulation of TP53 Activity through Phosphorylation","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Aromatic amines can be N
-hydroxylated or N-dealkylated by CYP1A2","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","MAP3K
8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","FCGR3A-mediated IL10 synthesis"
,"Nef and signal transduction","PI3K Cascade","APC/C:Cdc20 mediated degradation of mitotic proteins","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","Regulatio
n of TP53 Degradation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Ini
tiation of Nuclear Envelope (NE) Reformation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated
 degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CCNB1,CDK1,CDK5,GSK3B}

> <broad_moa>
{"CDK inhibitor","glycogen synthase kinase inhibitor"}

> <synonyms>
{kenpaullone,142273-20-9,142273209,9-Bromopaullone,9Bromopaullone,"NSC 664704","9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one","9Bromo7,12dihydroindolo(3,2d)(1)benzazepin6(5H)one",NSC-66470
4,NSC664704,9-Bromopaullone;NSC-664704,9Bromopaullone;NSC664704,"9-bromo-7,12-dihydrobenzo(2,3)azepino(4,5-b)indol-6(5H)-one","9bromo7,12dihydrobenzo(2,3)azepino(4,5b)indol6(5H)one",Indolo(3,2-d)(1)be
nz,2d)(1)benz,T2247,"EMD 422000",EI-310,KenPaullone,422000,Kenpaullone}

> <pdid>
PD002702

> <targets>
{CDK,GSK-3beta}

> <classes>
{}

> <pubchem_cids>
{3820}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 73 76  0  0  0  0            999 V2000
  -10.7377    1.1027    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    6.2500   -5.8600    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    3.4300    0.8000    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    0.8000    1.1200    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -8.4778    1.8763    0.0000 O   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    1.5337    5.1698    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    3.5827    8.5707    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    6.6527    6.0529    0.0000 O   0  0
    6.9056    4.5744    0.0000 C   0  0
    6.1416    9.0153    0.0000 O   0  0
    5.8843   10.4939    0.0000 C   0  0
    4.4758   11.0097    0.0000 O   0  0
    7.0356   11.4568    0.0000 C   0  0
    8.1867   12.4185    0.0000 C   0  0
    6.7783   12.9354    0.0000 C   0  0
    7.9290   13.8977    0.0000 O   0  0
    8.4448   10.9407    0.0000 C   0  0
    9.5964   11.9019    0.0000 O   0  0
    3.8662    2.2352    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    4.0182   -3.2790    0.0000 O   0  0
    3.1659   -2.0447    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  0
 39 41  1  0
 41  2  1  0
 41 42  1  0
 42  5  1  0
 41 43  1  0
 27 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 51 53  1  0
 53 54  1  0
 50 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 58 60  1  0
 60 61  1  0
 58 62  1  0
 62 63  1  0
 23 64  1  0
 21 65  1  0
 20 66  1  0
 19 67  1  0
 67 68  1  0
 16 69  1  0
 14 70  1  0
  8 71  1  0
  7 72  1  0
 72 73  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13409

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Temsirolimus

> <ctcr_id>
4859

> <supplier_cmpd_id>
T2145

> <smiles>
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

> <pd_targets>
{MTOR,ABCC2,ABCC3,ABCC4,ABCB11,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter",Isomerase,"Protein Kinase","ATP-binding cassette","Atypical protein kinase group","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIK
K family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Peptidyl-prolyl cis/trans isomerases",Atypical,"ABCC subfamily","ABCB subfamily","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,Hemostasis,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Metabolism of lipids","Platelet activation","signaling and
 aggregation","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","ABC transporter disorders","Metabolism of steroids","Response to eleva
ted platelet cytosolic Ca2+","Signaling by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Defective ABCC2 causes DJS","Bile acid and bile salt metabolism","Platelet degranu
lation","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","TGFBR1 LBD Mutants in Cancer","Regulation of 
TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Temsirolimus,162635-04-3,162635043,"162635 04 3",LSM-4295,LSM4295,"LSM 4295",FT-0674847,FT0674847,"FT 0674847",Q27165485,TEMSIROLIMUS}

> <pdid>
PD003551

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{148191}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 37 42  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 N   0  0
    1.3787    3.8597    0.0000 N   0  0
    1.8375    5.2879    0.0000 C   0  0
    0.9515    6.4991    0.0000 C   0  0
   -0.5427    6.4495    0.0000 C   0  0
   -1.3347    7.7234    0.0000 C   0  0
   -0.6274    9.0462    0.0000 C   0  0
    0.8718    9.0951    0.0000 C   0  0
    1.5790   10.4179    0.0000 O   0  0
    1.6637    7.8212    0.0000 C   0  0
    3.3367    5.2926    0.0000 C   0  0
    4.3367    6.4106    0.0000 C   0  0
    3.8684    7.8357    0.0000 N   0  0
    5.8050    6.1036    0.0000 N   0  0
    6.2732    4.6786    0.0000 C   0  0
    5.2732    3.5606    0.0000 N   0  0
    3.8050    3.8675    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 17 18  1  0
 18  8  1  0
 18 19  2  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 24  1  0
 23 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 21  1  0
 37 31  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13410

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
PIK-294

> <ctcr_id>
6151

> <supplier_cmpd_id>
T2297

> <smiles>
Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(c5cccc(O)c5)c6c(N)ncnc46

> <pd_targets>
{PIK3CA,PIK3CD,PIK3CB,ABL1,PIK3CG,PRKDC,SRC,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Abl family","Atypical protein kinase PIKK family","Tyrosine protein kinas
e Src family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","TK: Tyrosine kinase","Pho
sphatidyl inositol 3' kinase-related kinases (PIKK) family","Non-receptor tyrosine kinases (nRTKs)","Other PIKK family kinases","FRAP subfamily","Abl family","Src family"}

> <pathway_reactome>
{Disease,"Immune System","Signal Transduction",Metabolism,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Im
mune system","Signaling by Receptor Tyrosine Kinases","Infectious disease","Metabolism of lipids","Innate Immune System","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by 
Interleukins","Signaling by Insulin receptor","Leishmania infection","Phospholipid metabolism","Cytosolic sensors of pathogen-associated DNA","Signaling by NTRKs","Generic Transcription Pathway","Sign
aling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","Parasite infection","PI Metabolism","STING mediated induction of host immune respon
ses","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","IRS-mediated signalling","Leishmania phagocytosis","Synth
esis of PIPs at the plasma membrane","IRF3-mediated induction of type I IFN","Signalling to ERKs","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","FCGR3A-med
iated phagocytosis","Signalling to RAS","Regulation of TP53 Expression and Degradation","p38MAPK events","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{IK29,PIK-294,PIK294,900185-02-6,900185026,"PIK 294",C28H23N7O2,cc-610,cc610,MLS006010993,SCHEMBL1952680,CHEMBL1241767,BDBM36411,AOB6611,DTXSID20648004,SYN1098,HMS3244E13,HMS3244E14,HMS3244F13,HMS3655
P12,BCP01970,EX-A2568,EXA2568,s2227,ZINC62260316,AKOS026750411,CCG-269607,CCG269607,CS-,CS,T2297,SY-PIK294,S2227}

> <pdid>
PD010815

> <targets>
{delta,PI3K,PIK3}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{24905149}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0928    5.2082    0.0000 C   0  0
    7.3405    6.5059    0.0000 O   0  0
    9.5936    5.2113    0.0000 C   0  0
   10.3421    6.5121    0.0000 C   0  0
   11.8430    6.5152    0.0000 C   0  0
   12.5952    5.2175    0.0000 O   0  0
   12.5915    7.8160    0.0000 C   0  0
   14.0923    7.8191    0.0000 C   0  0
   14.8405    9.1192    0.0000 C   0  0
   14.8446    6.5214    0.0000 C   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -3.8990   -0.7525    0.0000 C   0  0
   -4.2128    0.7135    0.0000 C   0  0
   -5.7049    0.8679    0.0000 N   0  0
   -6.3128   -0.5034    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
  3 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  1  0
 23 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13411

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
CNX-1351

> <ctcr_id>
11410

> <supplier_cmpd_id>
T2256

> <smiles>
C1CN(CCN1C(=O)CCC(=O)C=C(C)C)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1

> <pd_targets>
{PIK3CD,PIK3CG,PIK3CA,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Immune System",Metabolism,Disease,"Signal Transduction","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers
","Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Phospholipid metabolism","Signaling by FGFR in disease","Signaling by Insulin receptor",Interleukin-3,"Interleukin-5 and GM-CSF 
signaling","PI Metabolism","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor 
activation","IRS-mediated signalling","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NX135,CNX-1351,CNX1351,1276105-89-5,1276105895,CHEMBL2316958,SCHEMBL1497679,AOB4441,EX-A447,EXA447,BCP07947,ABP001113,BDBM50426176,MFCD25976872,ZINC95593683,AKOS026750395,CS-3610,CS3610,DA-34965,DA34
965,HY-16596,HY16596,B5821,FT-0700154,FT0700154,A13879,Q27462003,T2256}

> <pdid>
PD012412

> <targets>
{PI3K¦Á,PI3K}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{58441401}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    7.7969   -1.5132    0.0000 S   0  0
    7.7919   -3.0132    0.0000 O   0  0
    6.4955   -2.2591    0.0000 O   0  0
    6.4994   -0.7589    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -2.1885   -3.7539    0.0000 O   0  0
   -4.6588   -2.9478    0.0000 O   0  0
   -5.1253   -4.3743    0.0000 C   0  0
   -6.5929   -4.6844    0.0000 C   0  0
    9.0994   -0.7675    0.0000 C   0  0
   10.3957   -1.5223    0.0000 C   0  0
   11.6974   -0.7770    0.0000 C   0  0
   11.7029    0.7230    0.0000 C   0  0
   10.4066    1.4777    0.0000 C   0  0
    9.1048    0.7325    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  2  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
  1 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13412

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
HS-173

> <ctcr_id>
11411

> <supplier_cmpd_id>
T2308

> <smiles>
S(=O)(=O)(Nc1cc(cnc1)c1ccc2n(c1)c(cn2)C(=O)OCC)c1ccccc1

> <pd_targets>
{PIK3CB,PIK3CA,PIK3CD,PIK3R1,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Signaling 
by Insulin receptor","Signaling by FGFR in disease","Phospholipid metabolism","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","PI Metabolism","IRS-mediated signalling","FGFR1 mut
ant receptor activation","Synthesis of PIPs at the plasma membrane","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S17,HS-173,HS173,1276110-06-5,1276110065,CHEMBL1765463,"HS 173",GTPL8243,SCHEMBL20768095,AOB6845,EX-A320,EXA320,HMS3653I16,BCP09225,2465AH,BDBM50341493,MFCD28023584,s7356,ZINC71319188,AKOS026750419,A
CN-053037,ACN053037,CCG-268913,CCG268913,CS-6015,CS6015,SB19242,NCGC00386329-02,NCGC0038632902,AK474032,AS-74644,AS74644,T2308}

> <pdid>
PD010339

> <targets>
{PI3K,PI3K¦Á}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{52936849}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13413

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
Bikinin

> <ctcr_id>
11413

> <supplier_cmpd_id>
T1965

> <smiles>
OC(=O)CCC(=O)Nc1ncc(Br)cc1

> <pd_targets>
{TSHR,RORC,AMPC}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor","Nuclear receptor",Hydrolase,"Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Glycoho
rmone receptor","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Glycoprotein hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","Leishmania infection","Generic Transcription Pathway","Leishmania parasite growth and survival","Tran
scriptional regulation by RUNX3","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","ADORA2B mediated anti-inflammatory cytokines
 production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Bikinin,188011-69-0,188011690,"4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid","4((5Bromopyridin2yl)amino)4oxobutanoic acid","4-((5-bromopyridin-2-yl)amino)-4-oxobutanoic acid","4((5bromopyridin2y
l)amino)4oxobutanoic acid",Abrasin,"N-(5-Bromo-pyridin-2-yl)-succinamic acid","N(5Bromopyridin2yl)succinamic acid","n-(5-bromopyridin-2-yl)succinamic acid","n(5bromopyridin2yl)succinamic acid",3-(N-(5
-bromo-2-pyridyl)carbam,3(N(5bromo2pyridyl)carbam,T1965}

> <pdid>
PD004311

> <targets>
{GSK-3,"Shaggy-like kinase"}

> <classes>
{"PI3K/Akt/mTOR signaling",Others,"Stem Cells"}

> <pubchem_cids>
{647833}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 26  0  0  1  0            999 V2000
    7.7965   -1.5150    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 O   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9026    0.7438    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0  1  0  0  0
    2.5937   -3.0039    0.0000 C   0  0
    2.5901   -4.5039    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 Br  0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  1
  7  8  3  0
  6  9  1  0
  9 10  1  1
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19  9  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 18 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13414

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
SC 79

> <ctcr_id>
7092

> <supplier_cmpd_id>
T2274

> <smiles>
CCOC(=O)[C@@H](C#N)[C@@H]1c2cc(Br)ccc2OC(=C1C(=O)OCC)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{C17H17BrN2O5,HA141,CHEMBL4303144,ZINC1036313,2458AH,CCG-268752,CCG268752,CS-0138,CS0138,HY-12011,HY12011,S1071,SW218039-2,SW2180392,T2274,T1980,"SC 79",HA14-1}

> <pdid>
PD011152

> <targets>
{Bcl-2}

> <classes>
{}

> <pubchem_cids>
{6976314}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.5532   -4.4223    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
    0.6929   -4.0817    0.0000 C   0  0
    2.1742   -4.0242    0.0000 C   0  0
    2.6753   -5.4380    0.0000 C   0  0
    4.1136   -5.8636    0.0000 O   0  0
    1.4855   -6.3514    0.0000 N   0  0
    0.2491   -5.5022    0.0000 C   0  0
   -1.1685   -5.9926    0.0000 O   0  0
    1.5252   -7.8509    0.0000 C   0  0
    3.0145   -2.7838    0.0000 N   0  0
    4.5115   -2.8904    0.0000 C   0  0
    5.3531   -1.6477    0.0000 C   0  0
    6.8502   -1.7544    0.0000 C   0  0
    7.6932   -0.5136    0.0000 C   0  0
    9.1892   -0.6232    0.0000 C   0  0
    9.8423   -1.9736    0.0000 C   0  0
    8.9993   -3.2144    0.0000 C   0  0
    7.5034   -3.1048    0.0000 C   0  0
   11.3382   -2.0832    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10  5  1  0
  7 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13415

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
IM-12

> <ctcr_id>
11416

> <supplier_cmpd_id>
T2261

> <smiles>
c1cccc2c1c(c(C)[nH]2)C1=C(C(=O)N(C1=O)C)NCCc1ccc(cc1)F

> <pd_targets>
{GSK3B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-1 Genome Replication and Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{M1,IM-12,IM12,1129669-05-1,1129669051,"IM 12",CHEMBL1254896,GTPL8017,SCHEMBL17378682,AOB4090,DTXSID20649091,CHEBI:125616,HMS3653F15,BCP10769,EX-A2071,EXA2071,2472AH,BDBM50326901,s7566,ZINC59086693,AK
OS026750397,CCG-208085,CCG208085,CS-3399,CS3399,SB19269,NCGC00386352-05,NCGC0038635205,AC-32946,AC32946,AK547017,AS-5,AS5,T2261}

> <pdid>
PD010278

> <targets>
{GSK-3,GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{25209788}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    3.1882    2.6402    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 O   0  0
    2.7248   -1.2135    0.0000 N   0  0
    3.1884   -2.6409    0.0000 C   0  0
    4.6235   -3.0601    0.0000 C   0  0
    4.9782   -4.5176    0.0000 C   0  0
    3.8933   -5.5535    0.0000 C   0  0
    2.4538   -5.1320    0.0000 C   0  0
    2.0991   -3.6745    0.0000 C   0  0
    4.2482   -7.0118    0.0000 C   0  0
    3.1630   -8.0473    0.0000 C   0  0
    4.6022   -8.4694    0.0000 C   0  0
    5.6883   -7.4345    0.0000 C   0  0
    7.1276   -7.8569    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 N   0  0
   -1.2942   -8.2509    0.0000 C   0  0
   -1.2919   -9.7509    0.0000 C   0  0
    0.0084  -10.4988    0.0000 C   0  0
    1.3062   -9.7467    0.0000 C   0  0
    1.3038   -8.2467    0.0000 C   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  3  0
  5 17  1  0
 17 18  2  0
 18  2  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 17  1  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 30  1  0
 35 36  2  0
 36 27  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13416

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Dactolisib

> <ctcr_id>
1084

> <supplier_cmpd_id>
T2235

> <smiles>
CN1C(=O)N(c2ccc(cc2)C(C)(C)C#N)c3c1cnc4ccc(cc34)c5cnc6ccccc6c5

> <pd_targets>
{ATR,CHEK1,PIK3CG,PIK3CD,PIK3CB,MTOR,PIK3R5,PIK3R1,PIK3CA,MAP4K2,LTK,JAK3,ALK,CSF1R,CLK4,PIK3C2B,PIK3C3,AURKB,ATM,PIK3C2A,LIMK1,LRRK2,NEK2,MLST8,RPTOR,CDK7,ACVR1,MET,MAP4K5,ABCB11,PIK3R2,PIK3R3}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,Transferase,"Primary active transporter","Protein Kinase","ATP-binding cassette","Atypical protein kinase group","CAMK protein kinase group","STE protein kinase group","TK p
rotein kinase group","TKL protein kinase group","CMGC protein kinase group","Other protein kinase group","ABCB subfamily","Atypical protein kinase PIKK family","CAMK protein kinase CAMK1 family","STE 
protein kinase STE20 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase JakA family","TKL protein kinase STKR family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CLK
 family","Other protein kinase AUR family","TKL protein kinase LISK family","TKL protein kinase LRRK family","Other protein kinase NEK family","CMGC protein kinase CDK family","Tyrosine protein kinase
 Met family","CAMK protein kinase CHK1 subfamily","Atypical protein kinase FRAP subfamily","STE protein kinase KHS subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase LIMK subfam
ily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","ATP-binding cassette transporter family",Atypical,"CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying ki
nases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily","Phosphatidyl inositol 3' kinase-related
 kinases (PIKK) family","CAMK-like (CAMKL) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","STE20 family","TK: Tyrosine kinase","CLK family","Phosphatidylinositol-4-phosphate 3-kinase 
family","Phosphatidylinositol 3-kinase family","Other protein kinases","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","ATR subfamily","CHK1 subfamily","FRAP subfamily","KHS subfami
ly","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","Other PIKK family kinases","LIM domain kinase (LISK) family","Leucine-rich repeat kinase (L
RRK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","CDK7 subfamily","Receptor serine/threonine kinase (RSTK) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor fa
mily","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","LIMK subfamily","Type I receptor serine/threonine kinases","Type X RTKs: HGF (hepatocyte growth factor) recep
tor family"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Immune System","Signal Transduction","Gene expression (Transcription)",Disease,"Cell Cycle","Developmental Biology","DNA Double-Strand Break Repair","Metabolism of lipids","C
ytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers",Mitoti
c,"Cell Cycle Checkpoints","Nervous system development","Signaling by Non-Receptor Tyrosine Kinases","Infectious disease","Homology Directed Repair","Phospholipid metabolism","Signaling by Interleukin
s","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by FGFR in disease","M Phase","G1/S DNA Damage Checkpoints","Axon guidance","Signaling by PTK6","Regulation of mitotic cel
l cycle","HIV Infection","Metabolism of steroids","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insu
lin receptor signalling cascade","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Interleukin-2 family signaling","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anap
hase","p53-Dependent G1/S DNA damage checkpoint","Semaphorin interactions","PTK6 promotes HIF1A stabilization","APC/C-mediated degradation of cell cycle proteins","HIV Life Cycle","Bile acid and bile 
salt metabolism","HDR through Homologous Recombination (HRR)","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRS-mediated signalling","Regulation of TP53 Activity","F
GFR1 mutant receptor activation","Interleukin-15 signaling","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Synthesis of PIPs at the early endosome membrane","Sema4D in semaphorin signaling
","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Late Phase of HIV Life Cycle","Synthesis of bile acids and bile salts","Homologous DNA Pairing and Strand Exchange","P
I3K Cascade","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Separation of Sister Chromatids","Stabilization of p53","Sema4D induced cell migration and g
rowth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","Sema4D mediated inhibition of cell attachment and migration","Synthesis of bile acids and
 bile salts via 7alpha-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Autodegradation of the E3 ubiquitin ligase COP1","APC:Cdc
20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","APC-Cdc20 mediated degradation of Nek2A","Tat-mediated elongation of t
he HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{ATR,MTOR,PIK3CA,PIK3CD,PIK3CG}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{dactolisib,915019-65-7,915019657,NVP-BEZ235,NVPBEZ235,BEZ235,"NVP-BEZ 235","NVPBEZ 235",BEZ-235,"BEZ 235","NVP BEZ235","BEZ235 (NVP-BEZ235)","BEZ235 (NVPBEZ235)",NVP-BEZ-235,UNII-RUJ6Z9Y0DT,UNIIRUJ6Z
9Y0DT,"BEZ235 (NVP-BEZ235, Dactolisib)","BEZ235 (NVPBEZ235, Dactolisib)",RUJ6Z9Y0DT,CHEBI:71952,BEZ235(NVP-BEZ235),BEZ235(NVPBEZ235),"915019-65-7 (free base)","915019657 (free base)",T2235,S1009,Dacto
lisib}

> <pdid>
PD003533

> <targets>
{mTOR,"PI3K MTOR",Autophagy,PI3K}

> <classes>
{Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{11977753}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    0.9513   -6.4982    0.0000 O   0  0
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2311   -3.4009    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
 18  9  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13417

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
AS-605240

> <ctcr_id>
7724

> <supplier_cmpd_id>
T2248

> <smiles>
O=C1NC(=O)/C(S1)=C/c2ccc3nccnc3c2

> <pd_targets>
{MAOB,NPC1,PIK3CG,PIK3CD,PIK3CB,CLK1,PIK3CA,CSNK2A1,CSNK2A2,CSNK2B,CISD1,RAB9A,MTOR,DYRK1A,DYRK2,DYRK1B}

> <pathway_gtopdb>
{Enzyme,Transporter,"Unclassified protein",Oxidoreductase,Transferase,Kinase,Hydrolase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","Atypical protein kinase group","CMGC p
rotein kinase CLK family","Other protein kinase CK2 family","Atypical protein kinase PIKK family","CMGC protein kinase DYRK family","Atypical protein kinase FRAP subfamily","CMGC protein kinase Dyrk1 
subfamily","CMGC protein kinase Dyrk2 subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Catecholamine turnover","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","SLC65 NPC-type cholesterol transporters","Lipid modifying kinases","CMGC: Containing CDK",MA
PK,GSK3,"CLK families",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","CLK family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Dual-specificity tyrosine-(Y)-phos
phorylation regulated kinase (DYRK) family","FRAP subfamily","Dyrk1 subfamily","Dyrk2 subfamily"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Signal Transduction",Disease,"Gene expression (Transcription)","Cell Cycle","Biological oxidations","Plasma lipoprotein assembly",remodeling
,"and clearance","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers
","Signaling by Rho GTPases","RNA Polymerase II Transcription",Mitotic,"Phase I - Functionalization of compounds","Plasma lipoprotein clearance","Phospholipid metabolism","Signaling by Interleukins","
Signaling by Insulin receptor","Signaling by FGFR in disease","Rho GTPase cycle","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Amine Oxidase reactions","LDL clearance","PI Me
tabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","RHOBTB GTPase Cycle","Transcriptional Regulation by TP53","G0 and Ea
rly G1","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRS-mediated signalling","FGFR1 muta
nt receptor activation","RHOBTB3 ATPase cycle","Regulation of TP53 Activity","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of
 TP53 Activity through Phosphorylation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S008,"S 008",CS-0084,CS0084,"CS 0084",DB04769,AS-605240,AS605240,"AS 605240",648450-29-7,648450297,"648450 29 7","5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE","5QUINOXALIN6YLMETHYLENETHIAZOLIDI
NE2,4DIONE","5 QUINOXALIN 6 YLMETHYLENE THIAZOLI","EMD 528106",S1410,528106}

> <pdid>
PD006408

> <targets>
{PI3K}

> <classes>
{}

> <pubchem_cids>
{5289247}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1271    4.3729    0.0000 C   0  0
    6.5954    4.6799    0.0000 C   0  0
    7.5954    3.5619    0.0000 C   0  0
    9.0651    3.8662    0.0000 O   0  0
   10.0635    2.7467    0.0000 C   0  0
    7.1272    2.1369    0.0000 C   0  0
    5.6590    1.8298    0.0000 C   0  0
    2.1880    3.7544    0.0000 C   0  0
    2.6517    5.1810    0.0000 C   0  0
    1.6482    6.2959    0.0000 C   0  0
    0.1809    5.9844    0.0000 C   0  0
   -0.8254    7.0978    0.0000 O   0  0
   -2.2922    6.7841    0.0000 C   0  0
   -0.2829    4.5579    0.0000 C   0  0
    0.7206    3.4429    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15  8  1  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 23 16  1  0
  5 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  4  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13418

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
TAS-301

> <ctcr_id>
11887

> <supplier_cmpd_id>
T2441

> <smiles>
O=C1Nc2c(C1=C(c1ccc(OC)cc1)c1ccc(OC)cc1)cccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AS30,TAS-301,TAS301,193620-69-8,193620698,"Tas 301",3-(BIS(4-METHOXYPHENYL)METHYLIDENE)-1H-INDOL-2-ONE,3(BIS(4METHOXYPHENYL)METHYLIDENE)1HINDOL2ONE,"3-(Bis(4-methoxyphenyl)methylene)-1,3-dihydro-2H-i
ndol-2-one","3(Bis(4methoxyphenyl)methylene)1,3dihydro2Hindol2one",MFCD05865245,3-bis(4-Methoxyphenyl)methylene-2-indolinone,3bis(4Methoxyphenyl)methylene2indolinone,3-Bis-(4-methoxphenyl)methylene-2-
indo,3Bis(4methoxphenyl)methylene2indo,T2441}

> <pdid>
PD012276

> <targets>
{PKC}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{9885087}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    9.0946   -5.2463    0.0000 C   0  0
    9.0967   -3.7463    0.0000 O   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -6.4975    3.7477    0.0000 C   0  0
   -6.5001    5.2477    0.0000 C   0  0
   -7.7954    2.9958    0.0000 O   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 11  2  0
 21 22  1  0
 22 23  2  0
 23  9  1  0
 23 24  1  0
 24 25  1  0
 17 26  1  0
 26 27  1  0
 26 28  1  0
  6 29  1  0
 29 30  2  0
 30  3  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13419

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
Palomid 529

> <ctcr_id>
6126

> <supplier_cmpd_id>
T2706

> <smiles>
COc1ccc(COc2cc3OC(=O)c4cc(ccc4c3cc2OC)C(C)O)cc1

> <pd_targets>
{MTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"AKT inhibitor","mTOR inhibitor"}

> <synonyms>
{"Palomid 529",914913-88-5,914913885,P529,Palomid-529,Palomid529,"Palomid 529 (P529)","SG 00529",SG-00529,SG00529,P-529,UNII-XV9409EWG4,UNIIXV9409EWG4,RES-529,RES529,XV9409EWG4,"Palomid 529,P529",cc-5
13,cc513,MLS006011187,"Palomid 529 - P529","Palomid 529  P529",SCHEMBL290034,C22H26Cl2N2O8,CHEMBL2141712,EX-,EX,T2706,S2238}

> <pdid>
PD012744

> <targets>
{mTOR,Apoptosis}

> <classes>
{PI3K/Akt/mTOR,Apoptosis}

> <pubchem_cids>
{11998575}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 O   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 10  1  0
 20 14  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 12 27  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13420

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
TGX-221

> <ctcr_id>
2097

> <supplier_cmpd_id>
T2661

> <smiles>
CC(Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C

> <pd_targets>
{PIK3CB,CLK4,PIK3CA,PIK3CD,CSNK1A1,PTK2,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","CMGC protein kinase group","CK1 protein kinase group","TK protein kinase group","CMGC protein kinase CLK family","CK1 protein kinase CK1 family","Tyrosine 
protein kinase Fak family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","Receptor kinases",Phosphatidylinositol
-4,"5-bisphosphate 3-kinase family","CLK family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Fak family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System",Metabolism,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signalin
g in Immune system","Infectious disease","Metabolism of lipids","Signaling by Insulin receptor","Signaling by FGFR in disease","Signaling by Interleukins","Signaling by WNT in cancer","Leishmania infe
ction","Phospholipid metabolism","Insulin receptor signalling cascade","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by AMER1 mutants","Parasite infecti
on","PI Metabolism","IRS-mediated signalling","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","Truncations of AMER1 destabilize the destruction complex","Leishmania phagocytosi
s","Synthesis of PIPs at the plasma membrane","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{PIK3CB,PIK3CD}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{GX22,TGX-221,TGX221,663619-89-4,663619894,"Tgx 221",CHEMBL1972466,"9-(1-Anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido(1,2-a)pyrimidin-4-one","9(1Anilinoethyl)7methyl2morpholin4ylpyrido(1,2a)pyrimidin
4one",Kinome_3610,Kinome3610,Kinome-3610,"Kinome 3610",PubChem22489,cc-494,cc494,MLS006010987,SCHEMBL902952,GTPL8244,CHEBI:91428,AOB3924,QCR-207,QCR207,SYN1089,BCPP000046,HMS322,T2661,S1169,"EMD 52811
3",528113,"TGX 221"}

> <pdid>
PD003688

> <targets>
{TGX221,TGX-221,"PI3K BETA","PI 3-K? Inhibitor VI"}

> <classes>
{}

> <pubchem_cids>
{9907093}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  5
    2.6003   -1.4977    0.0000 N   0  3
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 S   0  0
   -1.3070    5.2502    0.0000 N   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 N   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -5.2095    7.4959    0.0000 O   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2210   11.9975    0.0000 C   0  0
   -6.5226   12.7430    0.0000 C   0  0
   -7.8190   11.9885    0.0000 C   0  0
   -7.8138   10.4885    0.0000 C   0  0
   -6.5122    9.7430    0.0000 C   0  0
   -2.6165   10.5016    0.0000 C   0  0
   -2.6170   12.0017    0.0000 C   0  0
   -1.3182   12.7522    0.0000 C   0  0
   -0.0189   12.0027    0.0000 C   0  0
   -0.0183   10.5027    0.0000 C   0  0
   -1.3171    9.7522    0.0000 C   0  0
   -3.9078    5.2487    0.0000 C   0  0
   -5.2071    5.9983    0.0000 Cl  0  0
   -5.2068    4.4985    0.0000 Cl  0  0
   -3.9078    3.7487    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 15 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 11 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  6 32  2  0
 32 33  1  0
 33 34  2  0
 34  4  1  0
 34 35  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13421

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
CGK 733

> <ctcr_id>
6787

> <supplier_cmpd_id>
T1821

> <smiles>
[O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c3ccccc3)C(Cl)(Cl)Cl)ccc1F

> <pd_targets>
{ATM,KMT2A,MEN1,RORC,ATR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Kinase,Reader,"Nuclear receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Atypical protein kinase group","Nuclear horm
one receptor subfamily 1 group F","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Atypical,"1F. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family ki
nases","ATR subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","DNA Repair","Cell Cycle Checkpoints","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","G1/S DNA Damage Checkpoints","Generic Transcri
ption Pathway","Homology Directed Repair","p53-Dependent G1/S DNA damage checkpoint","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)"
,"p53-Dependent G1 DNA Damage Response","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","Stabilization of p53","Homologous DNA Pairing and Strand Exch
ange","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATM,ATR}

> <broad_moa>
{"ATM kinase inhibitor","ATR kinase inhibitor"}

> <synonyms>
{CGK733,905973-89-9,905973899,"CGK 733",CGK-733,"ATM/ATR Kinase Inhibitor","Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea",CHEMBL1221601,UNII-L3DGZ99QYM,UNIIL3DGZ99QYM,L3DGZ99QYM,EC-000.
1970,EC000.1970,GTPL5929,SCHEMBL1980806,CHEBI:91739,AOB6206,DTXSID30424997,EX-A177,EXA177,T1821,"EMD 118501",2639,118501}

> <pdid>
PD010604

> <targets>
{"Other Apoptosis",ATR/ATM}

> <classes>
{}

> <pubchem_cids>
{6605258}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Br  0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Br  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13422

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
TBB

> <ctcr_id>
1346

> <supplier_cmpd_id>
T2695

> <smiles>
Brc1c(Br)c(Br)c2nn[nH]c2c1Br

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2B,FTL,LMNA,KDM4E,ALOX15,HPGD,CYP3A4,DYRK1A,NQO2,REP,KMT2A,MEN1,THPO,NS3,GMNN,RECQL,NFKB1,ALDH1A1,BLM,CSNK2A3,MAPT,HSD17B10}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other nuclear protein","Epigenetic regulator","Other cytosolic protein",Kinase,Eraser,Oxidoreductase,"Cytochrome P450",Transferase,Reader,Protease,"Protein Kinase","Lys
ine demethylase","Cytochrome P450 family 3",Bromodomain,"Serine protease","Other protein kinase group","Jumonji domain-containing","Cytochrome P450 family 3A","CMGC protein kinase group","Serine prote
ase PA clan","Other protein kinase CK2 family","Cytochrome P450 3A4","CMGC protein kinase DYRK family","Serine protease S29 family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","Anti-infective targets","Receptor kinases
","1.14.11.- Histone demethylases",Lipoxygenases,"Prostaglandin synthases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Other protein kinases","Dual-specifici
ty tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Coronavirus (CoV) proteins","Casein kinase 2 (CK2) family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport","Gene expression (Transcription)","Cell Cycle",Metabolism,Disease,Hemostasis,"Immune System","DNA Repair","Neuronal System","Membrane Trafficking","RNA Polymerase II Tran
scription",Mitotic,"Metabolism of lipids","Biological oxidations","Infectious disease","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system","DNA Double-Strand Break 
Repair","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","M Phase","Biosynthesis of specialized
 proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","SARS-CoV Infections","Platelet Aggregation (Plug Formation)","Signaling by Interleuki
ns","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","Golgi Associated Vesicle Biogenesis","Transcriptional Regulatio
n by TP53","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","G0 and Early G1","SARS-CoV-2 Infection","G1/S Transition","Interleukin-1 family signa
ling","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Regulation of TP53 Activity","Mitotic An
aphase","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of maresins","SARS-CoV-2 Genome Replication and Transcription","Activation of the pre-replicative complex","Int
erleukin-1 signaling","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Regulation of TP53 Activity through Phosphorylation","Nuclear Envelope (NE) Reassembly","Bios
ynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Replication of the SARS-CoV-2 genome","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and
 Strand Exchange","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{17374-26-4,17374264,"4,5,6,7-tetrabromobenzotriazole","4,5,6,7tetrabromobenzotriazole",TBB,"4,5,6,7-Tetrabromo-1H-benzotriazole","4,5,6,7Tetrabromo1Hbenzotriazole",TBBt,"4,5,6,7-tetrabromo-2H-benzotr
iazole","4,5,6,7tetrabromo2Hbenzotriazole","4,5,6,7-Tetrabromo-1H-benzo(d)(1,2,3)triazole","4,5,6,7Tetrabromo1Hbenzo(d)(1,2,3)triazole",TETRABROMO-2-BENZOTRIAZOLE,TETRABROMO2BENZOTRIAZOLE,"4,5,6,7-Tet
rabromo-2-azabenzimidazole","4,5,6,7Tetrabromo2azabenzimidazole",Ca,2275,"EMD 218697",218697}

> <pdid>
PD002647

> <targets>
{"Casein Kinase II Inhibitor I",CK2}

> <classes>
{}

> <pubchem_cids>
{1694}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    6.4220    0.5904    0.0000 C   0  0
    5.8499   -0.7962    0.0000 O   0  0
    4.3623   -0.9951    0.0000 C   0  0
    3.4492    0.1949    0.0000 C   0  0
    1.9598    0.0000    0.0000 C   0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
    0.0000    3.4598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -2.4465    2.4465    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
   -2.5768   -2.3012    0.0000 C   0  0
   -2.3810   -3.7883    0.0000 C   0  0
   -3.3548   -4.9282    0.0000 O   0  0
   -2.5710   -6.2071    0.0000 C   0  0
   -1.1125   -5.8569    0.0000 O   0  0
   -0.9951   -4.3623    0.0000 C   0  0
    0.1949   -3.4492    0.0000 C   0  0
    1.3027   -4.4617    0.0000 O   0  0
    0.9809   -5.9268    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  0
    2.3011   -2.5768    0.0000 C   0  0
    1.7307   -3.9650    0.0000 O   0  0
    2.6465   -5.1530    0.0000 C   0  0
    3.7883   -2.3810    0.0000 C   0  0
    4.7044   -3.5698    0.0000 O   0  0
    6.1913   -3.3719    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 12  1  0
 22 23  1  0
 23  5  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13423

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Schizandrin B

> <ctcr_id>
3080

> <supplier_cmpd_id>
T2925

> <smiles>
COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3c2c(OC)c1OC

> <pd_targets>
{ATR,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,"Protein Kinase",Bromodomain,"Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ATR subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATR}

> <broad_moa>
{antioxidant}

> <synonyms>
{"Schisandrin B","Schizandrin B",61281-37-6,61281376,CHEMBL479488,69176-52-9,69176529,Schizandrin-B;Wuweizisu-B;gamma-Schisandrin,SchizandrinB;WuweizisuB;gammaSchisandrin,Schizandrin-B,SchizandrinB,"G
amma-Schisandrin ,(S)","GammaSchisandrin ,(S)",SCHEMBL3380716,DTXSID60976772,HMS3652I13,BCP30085,HY-N0089,HYN0089,BDBM50341711,AKOS01589,T2925,S3600,"Schisandrin B (Sch B)"}

> <pdid>
PD012303

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{108130}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5875   -5.9994    0.0000 C   0  0
    3.8888   -5.2533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19  9  1  0
 16 20  1  0
 14 21  1  0
 10 22  1  0
  4 23  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13424

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Isorhamnetin

> <ctcr_id>
12243

> <supplier_cmpd_id>
T2836

> <smiles>
COc1c(ccc(c1)c1c(c(=O)c2c(cc(cc2o1)O)O)O)O

> <pd_targets>
{CA12,CYP1A2,MAPK14,MAPK10,CA4,CA2,FABG,CYP1B1,KMT2A,MEN1,IP6K2,CA7,CYP1A1,XDH,AURKB,FABI,IPMK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Lyase,"Cytochrome P450",Kinase,Reader,Transferase,Oxidoreductase,"Cytochrome P450 family 1","Protein Kinase",Bromodomain,"Cytochrome P450 family 1A","CMGC protein kinase
 group","Cytochrome P450 family 1B","Other protein kinase group","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Cytochrome P450 1B1","Other protein kinase AUR family","CMGC protein kinase p3
8 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","Cytochrome P450","Kinases (EC 2.7.x.x)","1.-.-.- Oxidoreductases","Catalytic receptors","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Recepto
r kinases","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","p38 subfamily","JNK subfamily","Aurora kinase (Aur) family"}

> <pathway_reactome>
{Metabolism,"Immune System","Transport of small molecules","Cell Cycle","Reversible hydration of carbon dioxide","Biological oxidations","Innate Immune System","O2/CO2 exchange in erythrocytes","Cytok
ine Signaling in Immune system","Metabolism of nucleotides",Mitotic,"Inositol phosphate metabolism","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Erythrocytes take up carbo
n dioxide and release oxygen","Interferon Signaling","Nucleobase catabolism","M Phase","Synthesis of IPs in the nucleus","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cas
cade","Interferon alpha/beta signaling","Purine catabolism","Mitotic Metaphase and Anaphase",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Endogenous sterols","Mitotic Anaphase","Aromatic 
amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Separation of Sister Chromatids","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family
 of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Isorhamnetin,480-19-3,480193,3-Methylquercetin,3Methylquercetin,Isorhamnetol,"Quercetin 3'-methyl ether","Quercetin 3'methyl ether",3'-Methoxyquercetin,3'Methoxyquercetin,isorhamnetine,3'-O-Methylque
rcetin,3'OMethylquercetin,"3'-Methoxy-3,4',5,7-tetrahydroxyflavone","3'Methoxy3,4',5,7tetrahydroxyflavone",3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one,7Trihydroxy2(4hydroxy3methoxy
phenyl)4Hchromen4one,T2836}

> <pdid>
PD018337

> <targets>
{MEK,PI3K,Endogenous Metabolite}

> <classes>
{MAPK,PI3K/Akt/mTOR,MAPK/ERK Pathway,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5281654}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
   -2.1274   -3.7878    0.0000 C   0  0
   -0.6566   -4.0826    0.0000 C   0  0
   -0.1770   -5.5038    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0  2  0  0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    2.6640   -0.1279    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990    1.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  2  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -5.1962    0.0000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0  2  0  0  0
   -9.0933    3.7500    0.0000 O   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -5.1788    4.4691    0.0000 C   0  0
   -7.8115    4.4693    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.7321    2.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  1
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 17  1  0
 26 27  1  6
 27 28  1  0
 28 29  1  0
 29 11  1  0
 29 16  1  0
 29 30  1  6
 31 13  1  6
 31  4  1  0
 31  7  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13425

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
Lupeol

> <ctcr_id>
6283

> <supplier_cmpd_id>
T2895

> <smiles>
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

> <pd_targets>
{TOP2A,PTPN1}

> <pathway_gtopdb>
{Enzyme,Isomerase,Phosphatase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,"DNA topoisomerases",Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","G0 and Early G1","Transcriptional Regu
lation by MECP2","Transcription of E2F targets under negative control by DREAM complex","MECP2 regulates neuronal receptors and channels"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Lupeol,545-47-1,545471,Fagarasterol,Clerodol,"Monogynol B",farganasterol,Fagarsterol,Lupenol,beta-Viscol,betaViscol,"Triterpene lupeol",UNII-O268W13H3O,UNIIO268W13H3O,Lup-20(29)-en-3b-ol,Lup20(29)en3
bol,"Lup-20(29)-en-3-ol, (3-beta)-","Lup20(29)en3ol, (3beta)",CHEBI:6570,.beta.-Viscol,.beta.Viscol,O268W13H3O,NSC90487,MFCD00017351,T2895,"NSC 90487",LUPEOL}

> <pdid>
PD000382

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{259846}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 55 60  0  0  1  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 C   0  0  1  0  0  0
    5.1954   -3.0153    0.0000 O   0  0
    6.4915   -3.7721    0.0000 C   0  0  2  0  0  0
    6.4811   -5.2721    0.0000 O   0  0
    7.7749   -6.0311    0.0000 C   0  0  2  0  0  0
    9.0792   -5.2901    0.0000 C   0  0  1  0  0  0
    9.0896   -3.7902    0.0000 C   0  0  2  0  0  0
    7.7958   -3.0312    0.0000 C   0  0  1  0  0  0
    7.8062   -1.5312    0.0000 O   0  0
   10.3938   -3.0492    0.0000 O   0  0
   10.3730   -6.0491    0.0000 O   0  0
    7.7645   -7.5311    0.0000 C   0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
   -0.0156   -5.9928    0.0000 C   0  0
   -1.3109   -5.2364    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  1  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -4.9928   -1.7666    0.0000 C   0  0  1  0  0  0
   -6.4614   -1.4696    0.0000 C   0  0  1  0  0  0
   -7.4537   -2.5945    0.0000 O   0  0
   -6.9402   -0.0472    0.0000 C   0  0
   -8.4112    0.2503    0.0000 C   0  0
   -8.8900    1.6727    0.0000 C   0  0
  -10.3611    1.9702    0.0000 C   0  0
  -10.8396    3.3918    0.0000 C   0  0
  -11.3533    0.8453    0.0000 C   0  0
   -7.9318   -1.1730    0.0000 C   0  0
   -4.3739   -3.1330    0.0000 C   0  0
   -2.8831   -2.9666    0.0000 C   0  0
   -1.7840   -2.0807    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -1.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  1  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5627    0.0004    0.0000 C   0  0
    3.8791    2.2803    0.0000 C   0  0
    3.8971    3.7500    0.0000 O   0  0
   -1.2991    2.2500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  6
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  6
 12 15  1  6
 11 16  1  1
 10 17  1  6
  5 18  1  1
  4 19  1  6
  3 20  1  1
 20 21  1  0
  1 22  1  1
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 29 28  1  1
 29 30  1  0
 30 31  1  0
 26 31  1  6
 30 32  1  6
 29 33  1  0
 33 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 34 42  1  0
 33 43  1  6
 43 44  1  0
 44 28  1  0
 28 45  1  1
 27 46  1  0
 46 23  1  0
 27 47  1  6
 25 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 24 51  1  6
 51 52  1  0
 51 53  1  0
 50 54  1  6
 25 55  1  6
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13426

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Ginsenoside Rg2

> <ctcr_id>
11894

> <supplier_cmpd_id>
T2873

> <smiles>
[C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)O[C@@H]1[C@@H]2[C@@]([C@@H]3[C@]([C@]4([C@H]([C@@H](C3)O)[C@@H]([C@@](O)(CCC=C(C)C)C)CC4)C)(C1)C)(CC[C@@H](C2(C)C)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ginsenoside RG2",52286-74-5,52286745,"Chikusetsusaponin I","Prosapogenin C2",UNII-5R89LAS235,UNII5R89LAS235,CHEBI:77151,5R89LAS235,MFCD00210511,"(20S)Ginsenoside Rg2",CHEMBL505747,HY-N0602,HYN0602,"
Ginsenoside Rg2, analytical standard",s9117,AKOS037514673,ZINC23880875,T2873,"Ginsenoside Rg2"}

> <pdid>
PD018632

> <targets>
{GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{21599924}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 38 42  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 C   0  0
    2.7342    2.9815    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.3022    5.2508    0.0000 N   0  0
   -2.6030    5.9994    0.0000 C   0  0
   -3.8995    5.2449    0.0000 C   0  0
   -5.2011    5.9904    0.0000 C   0  0
   -5.2063    7.4904    0.0000 C   0  0
   -3.9099    8.2449    0.0000 C   0  0
   -2.6083    7.4994    0.0000 C   0  0
   -1.3127    8.2570    0.0000 O   0  0
   -1.3201    9.7570    0.0000 C   0  0
   -6.5071    8.2390    0.0000 C   0  0
   -7.8049    7.4868    0.0000 O   0  0
   -6.5102    9.7398    0.0000 N   0  0
   -7.8110   10.4884    0.0000 C   0  0
   -7.8163   11.9884    0.0000 C   0  0
   -9.1179   12.7339    0.0000 C   0  0
  -10.4143   11.9795    0.0000 N   0  0
  -11.7159   12.7250    0.0000 C   0  0
  -10.4092   10.4795    0.0000 C   0  0
   -9.1076    9.7340    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 17 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 25  1  0
 12 32  2  0
 32 33  1  0
 33 34  2  0
 34 10  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37  3  1  0
 37 38  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13427

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
BI 2536

> <ctcr_id>
1569

> <supplier_cmpd_id>
T6173

> <smiles>
CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O

> <pd_targets>
{PHKG2,TAOK1,CAMK2G,PRKD3,SLK,CHEK2,PRKCG,CSNK1G3,ALK,IRAK4,DAPK3,CSNK1D,EGFR,FER,CAMK2D,PRKD2,MINK1,RPS6KA3,MAP4K4,CLK2,PTK2,FES,PTK2B,CAMK2B,NEK4,INSR,CSNK1G1,CLK4,PLK3,CDC42BPA,MELK,NEK2,BRD4,MAPK7
,CLK3,MYO3A,RIOK1,GRK7,PLK1,MET,CAMK1D,STK10,PLK2,CIT,STK16,CSNK1G2,IRAK1,CDK7,CSNK1A1,TTK,DMPK,DAPK1,ABL1,BRDT,RPS6KA4,AAK1,HIPK1,TAOK3,HIPK2,MYLK,NIM1K,TAF1,GAK,CAMKK2,PIP4K2C,MAP3K19,CAMKK1,HIPK4,P
IK3CD,DAPK2,HUNK,CSNK1E,EIF2AK2,RPS6KA1,FLT3,MYO3B,STK33,NEK7,RPS6KA5,RPS6KA6,NEK3,PRKD1,RIOK3,CLK1,RPS6KA2,MAPK10,SYK,HIPK3,DCLK1,MERTK,CDK4,CAMK2A,LTK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,Transferase,"Protein Kinase",Bromodomain,"CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","CK1 protein kinase group","TKL 
protein kinase group","TK protein kinase group","CMGC protein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase PHk family","STE protein kinase STE20 fami
ly","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","CAMK protein kinase RAD53 family","AGC protein kinase PKC family","CK1 protein kinase CK1 family","TKL protein kinase STKR fami
ly","TKL protein kinase IRAK family","CAMK protein kinase DAPK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Fer family","AGC protein kinase RSK family","CMGC protein kinase C
LK family","Tyrosine protein kinase Fak family","Other protein kinase NEK family","Tyrosine protein kinase InsR family","Other protein kinase PLK family","AGC protein kinase DMPK family","CAMK protein
 kinase CAMK1 family","CMGC protein kinase MAPK family","Atypical protein kinase RIO family","AGC protein kinase GRK family","Tyrosine protein kinase Met family","Other protein kinase NAK family","CMG
C protein kinase CDK family","Other protein kinase TTK family","Tyrosine protein kinase Abl family","CMGC protein kinase DYRK family","CAMK protein kinase MLCK family","Other protein kinase CAMKK fami
ly","STE protein kinase STE11 family","Other protein kinase PEK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase unique family","Tyrosine protein kinase Syk family","CAMK protein ki
nase DCAMK1 family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Alk family","STE protein kinase TAO subfamily","STE protein kinase SLK subfamily","AGC protein kinase PKC alpha subfam
ily","CK1 protein kinase CK1-g","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MSN subfamily","AGC protein kinase RSK subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase
 MELK subfamily","CMGC protein kinase ERK5","STE protein kinase NinaC subfamily","Atypical protein kinase RIO1 subfamily","AGC protein kinase GRK subfamily","Other protein kinase PLK2","AGC protein ki
nase CRIK subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase MSK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase NIM1 subfamily","Other protein kinase Meta subfam
ily","Other protein kinase PKR","Other protein kinase Nek1","Atypical protein kinase RIO3 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","Bromodomain-containing proteins","CAMK: Calcium/calmodulin-dependent protein kina
ses","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","Enzymatic bromodomain-containing proteins",Atypical,"Non-enzymatic BRD containing proteins","Lipid modifying kinases","Phosphorylase kinase (PHK) family","STE20 family","CAMK2 family","Protein k
inase D (PKD) family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Death-associated kinase (DAPK) family
","RSK family","CLK family","Other protein kinases","DMPK family","Bromodomain kinase (BRDK) family","Mitogen-activated protein kinases (MAP kinases)","RIO family","G protein-coupled receptor kinases 
(GRKs)","CAMK1 family","Cyclin-dependent kinase (CDK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Myosin Light Chain Kinase (MLCK) family","TAF1 family","Ty
pe II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","CAMK-unique family","DCAMKL family","TAO subfamily","SLK subfamily","CH
K1 subfamily","Alpha subfamily","Receptor tyrosine kinases (RTKs)","Interleukin-1 receptor-associated kinase (IRAK) family","Non-receptor tyrosine kinases (nRTKs)","MSN subfamily","RSK subfamily","NIM
A (never in mitosis gene a)- related kinase (NEK) family","Polo-like kinase (PLK) family","GEK subfamily","MELK subfamily","ERK subfamily","NinaC subfamily","RIO1 subfamily","Opsin/rhodopsin kinases",
"Other DMPK family kinases","NAK family","CDK7 subfamily","TTK family","MSK subfamily","HIPK subfamily","NIM1 subfamily","Numb-associated kinase (NAK) family","CAMKK family","STE20 subfamily","HUNK su
bfamily","PEK family","RIO3 subfamily","JNK subfamily","CDK4 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","
Fer family","Fak family","Type II RTKs: Insulin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Abl family","Meta subfamily","Other PEK family kinases","Type III RTKs: 
PDGFR",CSFR,Kit,"FLT3 receptor family","Syk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Immune System","Programmed Cell Death","Signal Transduction","Cellular responses to external stimuli",Disease,"Development
al Biology","Metabolism of RNA","Muscle contraction","Vesicle-mediated transport",Hemostasis,"Metabolism of carbohydrates",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","RNA P
olymerase II Transcription","Innate Immune System",Apoptosis,"Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Infectious disease","Nervous system developmen
t","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","rRNA processing","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and sec
ond messengers","Cardiac conduction","Membrane Trafficking","Cell surface interactions at the vascular wall","Glycogen metabolism","M Phase","Neurotransmitter receptors and postsynaptic signal transmi
ssion","Sphingolipid metabolism","Generic Transcription Pathway","Toll-like Receptor Cascades","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G2-G2/M phases","GPCR downstream
 signalling","Signaling by SCF-KIT","Cellular Senescence","Leishmania infection","Axon guidance","Signaling by Interleukins","PIP3 activates AKT signaling","Regulation of mitotic cell cycle","SARS-CoV
 Infections","rRNA processing in the nucleus and cytosol","Neutrophil degranulation","RHO GTPase Effectors","HIV Infection","Signaling by WNT in cancer","Ion homeostasis","Clathrin-mediated endocytosi
s","trans-Golgi Network Vesicle Budding","Influenza Infection","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","Glycogen breakdown (glycogenolysis)","Mitotic Metaphase and Anaph
ase","Activation of NMDA receptors and postsynaptic events","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53","Glutamate binding","activation of AMPA receptors and synaptic plas
ticity","Toll Like Receptor 2 (TLR2) Cascade","Caspase activation via Dependence Receptors in the absence of ligand","G2/M Transition","G alpha (q) signalling events","Oxidative Stress Induced Senesce
nce","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Semaphorin interactions","Interleukin-2 family signaling","Negative regulation of the PI3K/AKT network","APC/C-mediated degradation of 
cell cycle proteins","Potential therapeutics for SARS","Major pathway of rRNA processing in the nucleolus and cytosol","G alpha (i) signalling events","Leishmania parasite growth and survival","RHO GT
Pases activate CIT","HIV Life Cycle","Signaling by AMER1 mutants","L1CAM interactions","Cargo recognition for clathrin-mediated endocytosis","RHO GTPases activate PAKs","Golgi Associated Vesicle Bioge
nesis",Interleukin-3,"Interleukin-5 and GM-CSF signaling","NS1 Mediated Effects on Host Pathways","Insulin receptor signalling cascade","Mitotic Prophase","G1 Phase","Mitotic Anaphase","Post NMDA rece
ptor activation events","Regulation of TP53 Activity","Trafficking of AMPA receptors","Toll Like Receptor TLR6:TLR2 Cascade","Centrosome maturation","Gastrin-CREB signalling pathway via PKC and MAPK",
"MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","CRMPs in Sema3A signaling","Interleukin-2 signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Activation of APC/C and A
PC/C:Cdc20 mediated degradation of mitotic proteins","Visual phototransduction","Sema4D in semaphorin signaling","Anti-inflammatory response favouring Leishmania parasite infection","Late Phase of HIV
 Life Cycle","Truncations of AMER1 destabilize the destruction complex","Recycling pathway of L1","Interleukin receptor SHC signaling","Inhibition of PKR","IRS-mediated signalling","Nuclear Envelope B
reakdown","Cyclin D associated events in G1","Separation of Sister Chromatids","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Expression and Deg
radation","Trafficking of GluR2-containing AMPA receptors","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Loss of proteins required for interphase microtubule organization from the centrosom
e","EGFR Transactivation by Gastrin","MAP kinase activation","FCGR3A-mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins"
,"The phototransduction cascade","Sema4D mediated inhibition of cell attachment and migration","CD163 mediating an anti-inflammatory response","Transcription of the HIV genome","Activation of AMPK dow
nstream of NMDARs","Regulation of TP53 Activity through Acetylation","Activation of RAC1 downstream of NMDARs","PI3K Cascade","Activation of NIMA Kinases NEK9",NEK6,NEK7,"FCGR3A-mediated IL10 synthesi
s","Ras activation upon Ca2+ influx through NMDA receptor","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 med
iated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","activated TAK1 mediates p38 MAPK ac
tivation","HIV Transcription Elongation","HIV Transcription Initiation","PI5P Regulates TP53 Acetylation","RSK activation","CREB phosphorylation","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK ta
rgets","Tat-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{BRD4,PLK1,PLK2,PLK3}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{"BI 2536",755038-02-9,755038029,BI-2536,BI2536,UNII-4LJG22T9C6,UNII4LJG22T9C6,(R)-BI-2536,(R)BI2536,4LJG22T9C6,CHEMBL513909,C28H39N7O3,"US8598172, 5",R78,PubChem22397,cc-627,cc627,MLS006011060,SCHEMB
L372489,GTPL5666,BDBM25121,AOB1365,DTXSID20226442,SYN1019,BCPP000342,AMY24180,EX-A2350,EXA2350,T6173,S1109}

> <pdid>
PD003209

> <targets>
{PLK,PLK1}

> <classes>
{}

> <pubchem_cids>
{11364421}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1743   -3.8808    0.0000 C   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 C   0  0
   -3.4369   -7.6452    0.0000 C   0  0
   -2.8651   -9.0328    0.0000 N   0  0
   -3.7779  -10.2231    0.0000 C   0  0
   -3.2036  -11.6088    0.0000 C   0  0
   -1.7164  -11.8043    0.0000 O   0  0
   -0.8035  -10.6141    0.0000 C   0  0
   -1.3778   -9.2284    0.0000 C   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 N   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 14 22  1  0
 22 23  2  0
 23 11  1  0
  7 24  1  0
 24 25  3  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13428

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
AZD1080

> <ctcr_id>
3512

> <supplier_cmpd_id>
T1741

> <smiles>
Oc1[nH]c2ccc(cc2c1c3ccc(CN4CCOCC4)cn3)C#N

> <pd_targets>
{CDK5,MINK1,CDK1,CLK4,GSK3B,PRKD2,PIM3,DYRK3,CDK7,CAMK2G,SGK2,CDK2,CAMK2A,MARK2,STK17A,DYRK1B,GSK3A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","STE protein kinase group","CAMK protein kinase group","AGC protein kinase group","CMGC protein kinase CDK family","STE protein kinase STE20
 family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","CAMK protein kinase PKD family","CAMK protein kinase PIM family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK
2 family","AGC protein kinase SGK family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK family","CMGC protein kinase CDK5 subfamily","STE protein kinase MSN subfamily","CMGC protein kin
ase CDC2 subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases
","AGC: Containing PKA",PKG,"PKC families","Cyclin-dependent kinase (CDK) family","STE20 family","CLK family","Glycogen synthase kinase (GSK) family","Protein kinase D (PKD) family","PIM family","Dual
-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK2 family","SGK family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CDK5 subfamily","MSN subfamily
","CDK1 subfamily","GSK subfamily","Dyrk2 subfamily","CDK7 subfamily","MARK subfamily","Dyrk1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cellular responses to external stimuli","Cell Cycle",Disease,Metabolism,"Neuronal System","Transport of small molecules","RNA Polymerase II Transcription","Cellular
 responses to stress",Mitotic,"Infectious disease","Metabolism of lipids","Transmission across Chemical Synapses","Ion channel transport","Generic Transcription Pathway","Cellular Senescence","Regulat
ion of mitotic cell cycle","SARS-CoV Infections","Sphingolipid metabolism","HIV Infection","Neurotransmitter receptors and postsynaptic signal transmission","Stimuli-sensing channels","Transcriptional
 Regulation by TP53","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle proteins","SARS-CoV-1 Infection","Sphingolipid de novo biosynthesis","HIV Life Cycle","Activation o
f NMDA receptors and postsynaptic events","Regulation of TP53 Activity","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SARS-CoV-1 Genome Replication and Transcription"
,"Late Phase of HIV Life Cycle","Post NMDA receptor activation events","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Replication of the 
SARS-CoV-1 genome","Transcription of the HIV genome","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Expression and Degradation","APC:Cdc20 media
ted degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","Ras activation upon Ca2+ influx through NMDA receptor","Regulation of TP53 Deg
radation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZD1080,612487-72-6,612487726,AZD-1080,AZ-11548415,AZ11548415,"AZD 1080",UNII-0TII45R8IJ,UNII0TII45R8IJ,0TII45R8IJ,2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile,2hydroxy3(5(
morpholinomethyl)pyridin2yl)1Hindole5carbonitrile,CHEMBL1969664,2-Hydroxy-3-(5-(morpholin-4-ylmethyl)pyridin-2-yl)-1H-indole-5-carbonitrile,2Hydroxy3(5(morpholin4ylmethyl)pyridin2yl)1Hindole5carbonitr
ile,2-Hydr,2Hydr,T1741,S7145}

> <pdid>
PD010598

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{135564570}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
   -6.4954    0.7438    0.0000 N   0  0
   -7.7969    1.4897    0.0000 C   0  0
   -9.0936    0.7355    0.0000 C   0  0
   -9.0888   -0.7645    0.0000 O   0  0
   -7.7874   -1.5103    0.0000 C   0  0
   -6.4907   -0.7562    0.0000 C   0  0
   -3.9038    5.2491    0.0000 N   0  0
   -2.6072    6.0033    0.0000 C   0  0
   -2.6120    7.5033    0.0000 C   0  0
   -3.9134    8.2492    0.0000 O   0  0
   -5.2100    7.4951    0.0000 C   0  0
   -5.2053    5.9951    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 10 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13429

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
Buparlisib

> <ctcr_id>
6201

> <supplier_cmpd_id>
T1827

> <smiles>
Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F

> <pd_targets>
{PIK3CD,PIK3CG,PI4KB,PIK3R1,PIK3CA,MTOR,PIK3C3,PIK3CB,PIK3C2B,PRKDC,PIK3R5,PIK3R2,PIK3R3}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Lipid modifying kinases","Phosphatidylinositol kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","1-phosphatidyl
inositol 4-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidylinositol 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","FRAP subfamily","Ot
her PIKK family kinases"}

> <pathway_reactome>
{"Immune System",Metabolism,Disease,"Gene expression (Transcription)","Signal Transduction","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by growth fact
or receptors and second messengers","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by Interleukins","Phospholipid metabolism","Signaling b
y FGFR in disease","Generic Transcription Pathway","Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Si
gnaling by FGFR1 in disease","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","STING mediated induction of host immune responses","Interleukin receptor SHC signaling","Synthe
sis of PIPs at the plasma membrane","Synthesis of PIPs at the Golgi membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activity","IRS-mediated signalling","IRF3-mediated induction of typ
e I IFN","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CA,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{"KM120 (NVPBKM120",NCGC00262604-01,NCGC0026260401,NCGC00262604-08,NCGC0026260408,AC-32077,AC32077,Buparlisib,944396-07-0,944396070,NVP-BKM120,NVPBKM120,BKM120,"5-(2,6-dimorpholinopyrimidin-4-yl)-4-(t
rifluoromethyl)pyridin-2-amine","5(2,6dimorpholinopyrimidin4yl)4(trifluoromethyl)pyridin2amine",NVP-BKM-120,BKM-120,"BKM 120",1202777-78-3,1202777783,UNII-0ZM2Z182GD,UNII0ZM2Z182GD,"NVP-BKM 120","NVPB
KM 120",BKM12,T1827,S2247,"BKM120 (NVP-BKM120)","BKM120 (NVP-BKM120, Buparlisib)"}

> <pdid>
PD010807

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{16654980}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    9.0964   -0.7233    0.0000 C   0  0
    7.8010   -1.4797    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3015   -2.2494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0095   -6.0029    0.0000 C   0  0
   -0.0126   -7.5029    0.0000 C   0  0
   -1.3132   -8.2502    0.0000 C   0  0
   -1.3193   -9.7510    0.0000 N   0  0
   -2.6217  -10.4969    0.0000 C   0  0
   -3.9179   -9.7420    0.0000 O   0  0
   -2.6279  -11.9977    0.0000 C   0  0
   -3.9284  -12.7451    0.0000 C   0  0
   -3.9316  -14.2451    0.0000 C   0  0
   -2.6341  -14.9978    0.0000 C   0  0
   -2.6372  -16.4978    0.0000 C   0  0
   -1.3335  -14.2505    0.0000 C   0  0
   -0.0337  -15.0010    0.0000 O   0  0
    1.2658  -14.2518    0.0000 C   0  0
   -1.3304  -12.7505    0.0000 C   0  0
   -2.6106   -7.4975    0.0000 C   0  0
   -2.6076   -5.9975    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4857    3.7625    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  0
 16  7  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  2  0
 36 28  1  0
 24 37  1  0
 37 38  2  0
 38 21  1  0
  5 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 40 43  2  0
 43  3  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13430

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
Voxtalisib Analogue

> <ctcr_id>
3041

> <supplier_cmpd_id>
T1826

> <smiles>
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(NC(=O)c5ccc(C)c(OC)c5)cc4)cc(OC)c1

> <pd_targets>
{PIK3CD,MTOR,PRKDC,PIK3CA,MLST8,RPTOR,PIK3CB,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfami
ly","Other PIKK family kinases"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"Signal Transduction",Metabolism,"Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Innate Immune System","Diseases of 
signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Signaling by Interleukins","Generic Transcription Pathway","Cytos
olic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Signaling by Insulin receptor","Phospholipid metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Re
gulation by TP53","STING mediated induction of host immune responses","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","PI Metabolism","Interleukin receptor SHC signaling","Regula
tion of TP53 Activity","IRF3-mediated induction of type I IFN","FGFR1 mutant receptor activation","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Expression an
d Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{NSC-768100,NSC768100,NSC-800992,NSC800992,"Voxtalisib (SAR245409, XL765)",XL765,1349796-36-6,1349796366,1123889-87-1,1123889871,XL-765,PI3K-IN-1,PI3KIN1,"Voxtalisib Analogue","XL 765","SAR245409 (XL7
65)",Voxtalisib-Analog,VoxtalisibAnalog,CHEBI:71958,"Exelixis pI3K inhibitor","XL-147 derivative 1","XL147 derivative 1",CS-,CS,T1826,S1523}

> <pdid>
PD003336

> <targets>
{PI3K,mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{49867926}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    4.0417   -4.4401    0.0000 C   0  0
    4.9463   -3.2436    0.0000 O   0  0
    4.4672   -5.8785    0.0000 N   0  0
    3.2312   -6.7270    0.0000 C   0  0
    3.0348   -8.2141    0.0000 C   0  0
    1.6487   -8.7875    0.0000 C   0  0
    1.4524  -10.2746    0.0000 Br  0  0
    0.4591   -7.8739    0.0000 C   0  0
    0.6554   -6.3869    0.0000 C   0  0
    2.0415   -5.8134    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  4 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  3  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13431

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
6-BIO

> <ctcr_id>
12

> <supplier_cmpd_id>
T1917

> <smiles>
ON=C1C(=C2C(=O)Nc3cc(Br)ccc23)Nc4ccccc14

> <pd_targets>
{AURKB,CDK5,CLK1,ALOX5,GSK3A,GSK3B,DYRK2,DYRK1A,GSK3-BETA,CDK5R1,CDK1,AURKA,EIF2AK2,CCNA2,CDK2,AURKC,CSNK1A1,NR1H4,CCNB1,CCNB2,CCNB3,CCND1,CDK4,CCNH,CDK7,MNAT1,CCNE1,CCNT1,CDK9}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,Oxidoreductase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Other protein kinase group","CMGC protein kinase group","CK1 protein ki
nase group","Nuclear hormone receptor subfamily 1 group H","Other protein kinase AUR family","CMGC protein kinase CDK family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","CMGC pr
otein kinase DYRK family","Other protein kinase PEK family","CK1 protein kinase CK1 family","Nuclear hormone receptor subfamily 1 group H member 4","CMGC protein kinase CDK5 subfamily","CMGC protein k
inase Dyrk2 subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","Other protein kinase PKR","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Nuclear hormone receptors","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"CK1:
 Casein kinase 1","1H. Liver X receptor-like receptors","Other protein kinases","Cyclin-dependent kinase (CDK) family","CLK family","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(
Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Aurora kinase (Aur) family","CDK5 subfamily","GSK subfamily","Dyrk2 subfamily","Dyrk1 subfamily","CDK1 subfamily","PE
K family","Other PEK family kinases"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,Disease,Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease","Diseases of signal transduction by growth fact
or receptors and second messengers","M Phase","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","
Regulation of mitotic cell cycle","Influenza Infection","Signaling by WNT in cancer","Metabolism of steroids","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Biosynthesis of DPA
-derived SPMs","SARS-CoV-1 Infection","G0 and Early G1","APC/C-mediated degradation of cell cycle proteins","NS1 Mediated Effects on Host Pathways","Signaling by AMER1 mutants","Bile acid and bile sal
t metabolism","Mitotic Anaphase","Regulation of TP53 Activity","Biosynthesis of DPAn-3 SPMs","SARS-CoV-1 Genome Replication and Transcription","Activation of APC/C and APC/C:Cdc20 mediated degradation
 of mitotic proteins","Inhibition of PKR","Truncations of AMER1 destabilize the destruction complex","Synthesis of bile acids and bile salts","Separation of Sister Chromatids","Regulation of TP53 Acti
vity through Phosphorylation","Biosynthesis of DPAn-3-derived 13-series resolvins","Replication of the SARS-CoV-1 genome","APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of bile acid
s and bile salts via 27-hydroxycholesterol","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cycli
n A"}

> <broad_targets>
{GSK3A,GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor","lipoxygenase inhibitor"}

> <synonyms>
{CHEMBL243555,667463-62-9,667463629,BIO,6-BROMOINDIRUBIN-3'-OXIME,6BROMOINDIRUBIN3'OXIME,"GSK-3 Inhibitor IX","GSK3 Inhibitor IX",6BIO,6-bromoindirubin-3-oxime,6bromoindirubin3oxime,6-BIO,"(2'Z,3'E)-6
-Bromoindirubin-3'-oxime","(2'Z,3'E)6Bromoindirubin3'oxime","GSK 3 Inhibitor IX","GSK-3 Inhibitor IX (BIO)","GSK3 Inhibitor IX (BIO)","GSK 3B Inhibitor IX",(2Z,3E)-6-Bromoindirubin-3'-,3E)6Bromoindiru
bin3',T1917,"EMD 361550",3194,S7198,361550}

> <pdid>
PD002727

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{448949}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    8.5440   -1.7998    0.0000 C   0  0
    9.3008   -3.0949    0.0000 C   0  0  2  0  0  0
   10.8008   -3.0866    0.0000 O   0  0
    8.5568   -4.3983    0.0000 C   0  0
    9.3135   -5.6934    0.0000 O   0  0
    7.0560   -4.4066    0.0000 N   0  0
    6.3105   -5.7083    0.0000 C   0  0
    4.8105   -5.7135    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 N   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    4.8014   -3.1154    0.0000 C   0  0
    6.3014   -3.1102    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 11  2  0
 19 20  1  0
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
 14 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
  9 34  1  0
 34 35  1  0
 35  6  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13432

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Apitolisib

> <ctcr_id>
7517

> <supplier_cmpd_id>
T1916

> <smiles>
C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1

> <pd_targets>
{PIK3CA,PIK3C3,PIK3CD,PIK3CG,SYK,PIK3C2B,PRKDC,PIK3CB,FGR,MAP3K9,MTOR,PIK3C2A,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","TKL protein kinase group","Tyrosine protein kinase Syk family","Atypical protein kinase PIKK fami
ly","Tyrosine protein kinase Src family","TKL protein kinase MLK family","TKL protein kinase MLK subfamily","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol 3-ki
nase family","TK: Tyrosine kinase","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TKL: Tyrosine kinase-like","Non-receptor tyrosine
 kinases (nRTKs)","Other PIKK family kinases","Mixed Lineage Kinase (MLK) family","FRAP subfamily","Syk family","Src family","MLK subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System",Metabolism,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Ty
rosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Infectious disease","Innate Immune System","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by 
Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Leishmania infection","Cytosolic sensors of pathogen-associated DNA","Generic Transcription Pathway","Signaling by FGFR1 in dis
ease","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Leishmania parasite growth and survival","STING mediated induction of host immune respon
ses","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","Anti-inflammator
y response favouring Leishmania parasite infection","IRF3-mediated induction of type I IFN","Regulation of TP53 Activity","Synthesis of PIPs at the early endosome membrane","Signaling by cytosolic FGF
R1 fusion mutants","PI3K Cascade","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{FGR,MAP3K9,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,SYK}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{"DC0980 (RG7422",Apitolisib,1032754-93-0,1032754930,GDC-0980,GDC0980,RG7422,"GNE 390","GDC 0980",UNII-1C854K1MIJ,UNII1C854K1MIJ,"GDC-0980 (RG7422)","GDC0980 (RG7422)","Apitolisib (GDC-0980, RG7422)",
"Apitolisib (GDC0980, RG7422)","RG 7422","GDC-0980 (Apitolisib)","GDC0980 (Apitolisib)",1C854K1MIJ,CHEMBL1922094,RG-7422,C23H30N8O3S,"GNE 390; GDC 0980;",T1916,S2696}

> <pdid>
PD010882

> <targets>
{mTOR,PI3K,Apoptosis}

> <classes>
{Apoptosis,PI3K/Akt/mTOR}

> <pubchem_cids>
{25254071}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    9.6577   -4.9951    0.0000 C   0  0
   11.1448   -5.1913    0.0000 C   0  0
   11.4178   -6.6662    0.0000 N   0  0
   10.0994   -7.3817    0.0000 N   0  0
    9.0370   -6.3477    0.0000 C   0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    5.3273   -7.4917    0.0000 S   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.5408   -5.3899    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 N   0  0
    7.4046   -9.1739    0.0000 Cl  0  0
    9.8941   -8.8675    0.0000 C   0  0
    8.9324   -3.6822    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 18 22  1  0
 14 23  1  0
 23 24  1  0
  7 25  1  0
  4 26  1  0
  1 27  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13433

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
Afuresertib

> <ctcr_id>
11427

> <supplier_cmpd_id>
T1911

> <smiles>
c1(cnn(c1c1c(sc(c1)C(=O)N[C@@H](Cc1cc(ccc1)F)CN)Cl)C)Cl

> <pd_targets>
{AKT1,AKT2,AKT3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Insulin receptor","Tra
nscriptional Regulation by TP53","Insulin receptor signalling cascade","Regulation of TP53 Activity","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulatio
n of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{Afuresertib,1047644-62-1,1047644621,GSK2110183C,"Afuresertib free base","Afuresertib (GSK2110183)",UNII-8739X25QI3,UNII8739X25QI3,"GSK 2110183C",ASB183,ASB-183,GSK-2110183C,"1047644-62-1 (free base)"
,"1047644621 (free base)",8739X25QI3,"Afuresertib HCl",GSK2110183,"Afuresertib (USAN:INN)",Afu,T1911}

> <pdid>
PD012538

> <targets>
{Akt,Akt1,Akt2,Akt3,PKC,ROCK}

> <classes>
{Cytoskeletal Signaling,PI3K/Akt/mTOR signaling,Cell Cycle/DNA Damage,Cytoskeleton,Epigenetics,PI3K/Akt/mTOR,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{46843057}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 68 71  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1455    9.0106    0.0000 O   0  0
    7.5532    8.4901    0.0000 C   0  0
    8.7084    9.4481    0.0000 C   0  0
   10.1153    8.9279    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  2  3
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 46  1  0
 51 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 58  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 16  1  0
 44 67  1  0
 67 68  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13434

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
Everolimus

> <ctcr_id>
1570

> <supplier_cmpd_id>
T1784

> <smiles>
COC1CC(CCC1OCCO)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{MTOR,ABCC3,ABCB11,ABCC2,ABCC4,KCNE1,KCNQ1,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel",Kinase,"Primary active transporter","Voltage-gated ion channel",Isomerase,"Protein Kinase","ATP-binding cassette","Potassium channels","Atypical protein kinase group"
,"ABCC subfamily","ABCB subfamily","Voltage-gated potassium channel","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Peptidyl-prolyl cis/trans isomerases",Atypical,"ABCC subfamily","ABCB subfamily","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,Hemostasis,"RNA Polymerase II Transcription","Metabolism of lipids","Disorders of transmembrane transporters","Platelet activation","signaling and
 aggregation","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Metabolism of steroids","ABC transporter disorders","Response to eleva
ted platelet cytosolic Ca2+","Signaling by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Platelet degranu
lation","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","TGFBR1 LBD Mutants in Cancer","Regulation of 
TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Everolimus-d4,Everolimusd4,LSM-4258,LSM4258,159351-69-6,159351696,1338452-54-2,1338452542,HMS3672G03,CE0109,FT-0654851,FT0654851,Q27165445,T1784,S1120,Everolimus,Everolimus(RAD001),"Everolimus (RAD00
1)"}

> <pdid>
PD004083

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{53398658}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8994    3.7477    0.0000 N   0  0
   -5.1981    2.9954    0.0000 C   0  0
   -6.4998    3.7409    0.0000 C   0  0
   -7.7962    2.9864    0.0000 C   0  0
   -7.7910    1.4864    0.0000 C   0  0
   -6.4894    0.7409    0.0000 C   0  0
   -5.1930    1.4954    0.0000 N   0  0
   -9.0881    0.7315    0.0000 N   0  0
  -10.3910    1.4749    0.0000 C   0  0
  -11.6862    0.7183    0.0000 C   0  0
  -11.6787   -0.7816    0.0000 N   0  0
  -10.3758   -1.5251    0.0000 C   0  0
   -9.0806   -0.7685    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 10 24  1  0
 24 25  2  0
 25  7  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 26 32  1  0
 32  4  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13435

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
Palbociclib

> <ctcr_id>
3109

> <supplier_cmpd_id>
T1785

> <smiles>
CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O

> <pd_targets>
{DAPK3,CHEK1,CLK4,LRRK2,CCND1,CCND2,CCND3,CDK4,FLT3,CDK6,CDK9,PRKX,NEK2,PRKD3,MAP4K5,CCNT1,CDK2,JAK3,CLK2,MST1R,PRKAA1,MAP4K4,DYRK1A,DYRK1B,TAOK1,CDK5,RPS6KA3,MAPK9,CCNA2,MAP4K2,ROCK2,PAK4,ALK,RET,MET
,MAPK8,CCNB1,CDK1,CCNE1,TTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","TKL protein kinase group","TK protein kinase group","AGC protein kinase group","Other protein kinase group","ST
E protein kinase group","CAMK protein kinase DAPK family","CAMK protein kinase CAMK1 family","CMGC protein kinase CLK family","TKL protein kinase LRRK family","Tyrosine protein kinase PDGFR family","C
MGC protein kinase CDK family","AGC protein kinase PKA family","Other protein kinase NEK family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family
","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","AGC protein kinase RSK family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase STKR fam
ily","Tyrosine protein kinase Ret family","Other protein kinase TTK family","CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase KHS subfamily","CMGC protein k
inase CDC2 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase MSN subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK5 subfami
ly","AGC protein kinase RSK subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily","STE protein kinase PAKB subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Death-associated kinase (DAPK) family","CAMK-like (CAMKL) family","CLK family","TKL: Tyrosine kinase-like
","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Dual-specificity tyrosine-(Y)-pho
sphorylation regulated kinase (DYRK) family","RSK family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","CHK1 subfamily","Leucine-rich repeat kinase (LRRK) family","Receptor tyrosine
 kinases (RTKs)","CDK4 subfamily","CDK9 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","KHS subfamily","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","AMPK subfamil
y","MSN subfamily","Dyrk1 subfamily","TAO subfamily","CDK5 subfamily","RSK subfamily","JNK subfamily","Rho kinase","PAKB subfamily","TTK family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family",
"Janus kinase (JakA) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Programmed Cell Death","DNA Repair","Signal Transduction","Cell Cycle",Disease,Metabolism,"Gene expression (Transcription)","Immune System","Cellular responses to external stimuli","Developmental Bi
ology",Apoptosis,"DNA Double-Strand Break Repair","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Receptor Tyrosine Kinases",Mitotic,"Infectious disease","Metabolism of lipids","RNA Polymer
ase II Transcription","Cytokine Signaling in Immune system","Cellular responses to stress","Innate Immune System","Nervous system development","Caspase activation via extrinsic apoptotic signalling pa
thway","Homology Directed Repair","Signaling by PTK6","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","HIV Infection","Leishmania infection","Regulation of mitotic cell cycle","
Sphingolipid metabolism","Generic Transcription Pathway","Signaling by Interleukins","Signaling by MST1","Cellular Senescence","M Phase","Toll-like Receptor Cascades","Axon guidance","Caspase activati
on via Dependence Receptors in the absence of ligand","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","PTK6 promotes HIF1A stabilization","Insulin receptor signalling cas
cade","G1 Phase","HIV Life Cycle","Leishmania parasite growth and survival","APC/C-mediated degradation of cell cycle proteins","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53"
,"Interleukin-2 family signaling","Oxidative Stress Induced Senescence","G0 and Early G1","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by
 ROBO receptors","RET signaling","HDR through Homologous Recombination (HRR)","IRS-mediated signalling","Cyclin D associated events in G1","Late Phase of HIV Life Cycle","Anti-inflammatory response fa
vouring Leishmania parasite infection","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity","Interleukin-15 signaling","Mitotic Anaphase","MyD88
 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","Activation of RAC1","Homologous DNA Pairing and Strand Exchange","PI3K Cascade","Transcription of the HIV genome","ADORA2B medi
ated anti-inflammatory cytokines production","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation
","Separation of Sister Chromatids","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition of cell attachment and migration","Presynaptic phase of
 homologous DNA pairing and strand exchange","HIV Transcription Elongation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP5
3 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","Activation of 
the AP-1 family of transcription factors","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK4,CDK6}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{Palbociclib,571190-30-2,571190302,PD0332991,Ibrance,PD-0332991,"PD 0332991",UNII-G9ZF61LE7G,UNIIG9ZF61LE7G,"Palbociclib free base",Palbociclib-d8,Palbociclibd8,PD-332991,PD332991,"571190-30-2 (free b
ase)","571190302 (free base)",MFCD11840850,G9ZF61LE7G,Palbociclib(PD0332991),"PD 332991",CHEBI:85993,(d8)-Palbociclib,(d8)Palbociclib,T1785,T6239,758247,S1116,"Palbociclib hydrochloride"}

> <pdid>
PD003263

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{5330286}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 34  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5998    1.4987    0.0000 C   0  0  2  0  0  0
    3.8976    0.7465    0.0000 C   0  0
    2.6028    2.9995    0.0000 N   0  0
    3.9035    3.7482    0.0000 C   0  0
    5.2001    2.9938    0.0000 N   0  0
    6.5017    3.7394    0.0000 C   0  0
    6.5067    5.2394    0.0000 N   0  0
    5.2103    5.9938    0.0000 C   0  0
    4.9038    7.4613    0.0000 N   0  0
    3.4125    7.6232    0.0000 C   0  0
    2.7978    6.2549    0.0000 N   0  0
    3.9087    5.2482    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
 11  6  1  0
  8 12  1  0
  3 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  2 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 22  2  0
 30 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13436

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
Acalisib

> <ctcr_id>
12141

> <supplier_cmpd_id>
T2682

> <smiles>
n1c(n(c(=O)c2cc(ccc12)F)c1ccccc1)[C@H](C)Nc1[nH]cnc2ncnc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Acalisib,870281-34-8,870281348,"Acalisib (GS-9820)","Acalisib (GS9820)",UNII-OVW60IDW1D,UNIIOVW60IDW1D,GS-9820,GS9820,OVW60IDW1D,6-fluoro-3-phenyl-2-((1S)-1-(7H-purin-6-ylamino)ethyl)quinazolin-4-one
,6fluoro3phenyl2((1S)1(7Hpurin6ylamino)ethyl)quinazolin4one,"Acalisib (INN)",CAL-120,CAL120,SCHEMBL356539,CHEMBL4303323,SCHEMBL17518095,GTPL10096,"CAL 120",BDBM21735,T2682}

> <pdid>

> <targets>
{PI3K¦Ä,PI3K}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{11618268}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 O   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -6.3206    4.6976    0.0000 N   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.2483    7.2947    0.0000 C   0  0
   -4.7489    7.2529    0.0000 N   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -2.5359    5.8914    0.0000 N   0  0
   -8.5343    6.0587    0.0000 C   0  0
   -9.3223    4.7823    0.0000 C   0  0
  -10.8216    4.8264    0.0000 C   0  0
  -11.5331    6.1469    0.0000 C   0  0
  -10.7453    7.4234    0.0000 C   0  0
   -9.2459    7.3793    0.0000 C   0  0
  -13.0333    6.1911    0.0000 S   0  0
  -13.7444    7.5118    0.0000 O   0  0
  -14.5326    6.2359    0.0000 O   0  0
  -13.8224    4.9144    0.0000 C   0  0
  -15.3218    4.9585    0.0000 C   0  0
  -13.1113    3.5937    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 10  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 17 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  2  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13437

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
Berzosertib

> <ctcr_id>
75

> <supplier_cmpd_id>
T2669

> <smiles>
CNCc1ccc(cc1)c2cc(on2)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)C

> <pd_targets>
{MAP3K9,SYK,MTOR,FLT3,ATR,GSK3B,ATM,PIK3CA,PIK3R1,DYRK2,ABL1,KIT,FLT4,MERTK,JAK2,PIK3CG,GSK3A,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TKL protein kinase group","TK protein kinase group","Atypical protein kinase group","CMGC pr
otein kinase group","Voltage-gated potassium channel","TKL protein kinase MLK family","Tyrosine protein kinase Syk family","Atypical protein kinase PIKK family","Tyrosine protein kinase PDGFR family",
"CMGC protein kinase GSK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Axl family","Tyrosine protein ki
nase JakA family","TKL protein kinase MLK subfamily","Atypical protein kinase FRAP subfamily","CMGC protein kinase Dyrk2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Receptor kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying
 kinases","Potassium channels","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Glycogen synthase kinase (GSK) family","Dual-specifici
ty tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Voltage-gated potassium channels","Mixed Lineage Kinase (MLK) family","Non-rece
ptor tyrosine kinases (nRTKs)","FRAP subfamily","Receptor tyrosine kinases (RTKs)","ATR subfamily","GSK subfamily","Other PIKK family kinases","Dyrk2 subfamily","MLK subfamily","Syk family","Type III 
RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Janu
s kinase (JakA) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","DNA Repair","Cell Cycle",Hemostasis,Metabolism,"Muscle contraction","Infectious disease","RNA Polymerase II Transcription","Signaling 
by Receptor Tyrosine Kinases","DNA Double-Strand Break Repair","Cell Cycle Checkpoints","Diseases of signal transduction by growth factor receptors and second messengers","Cell surface interactions at
 the vascular wall",Mitotic,"Metabolism of lipids","Cardiac conduction","Leishmania infection","Generic Transcription Pathway","Signaling by Insulin receptor","Homology Directed Repair","SARS-CoV Infe
ctions","G1/S DNA Damage Checkpoints","Signaling by KIT in disease","Signaling by VEGF","Mitotic G1 phase and G1/S transition","Phospholipid metabolism","Phase 3 - rapid repolarisation","Leishmania pa
rasite growth and survival","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SARS-CoV-1 Infecti
on","p53-Dependent G1/S DNA damage checkpoint","Parasite infection","Drug resistance of KIT mutants","VEGF ligand-receptor interactions","G1 Phase","PI Metabolism","Anti-inflammatory response favourin
g Leishmania parasite infection","Regulation of TP53 Activity","IRS-mediated signalling","HDR through Homologous Recombination (HRR)","SARS-CoV-1 Genome Replication and Transcription","p53-Dependent G
1 DNA Damage Response","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","Cyclin D associated events in G1","Synthesis of PIPs at the p
lasma membrane","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Expression and Degradation","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Replication of the SARS-CoV-1 genome","Sta
bilization of p53","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchang
e","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ATM,ATR,MTOR,PIK3CG}

> <broad_moa>
{"ATR kinase inhibitor"}

> <synonyms>
{BDBM50226746,VE-822,VE822,1232416-25-9,1232416259,Berzosertib,VX-970,VX970,UNII-L423PRV3V3,UNIIL423PRV3V3,"VE 822",L423PRV3V3,"VE-822 (VX-970)","VE822 (VX970)",M6620,"Berzosertib (USAN)",VX-970;Berzo
sertib,VX970;Berzosertib,"Berzosertib (USAN/INN)",GTPL8003,SCHEMBL3061890,CHEMBL3989870,EX-A529,EXA529,CHEBI:1,T2669,S7102}

> <pdid>
PD010622

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{59472121}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 31  0  0  0  0            999 V2000
   15.5573  -24.0417    0.0000 C   0  0
   14.2598  -23.2891    0.0000 C   0  0
   14.2619  -21.7882    0.0000 C   0  0
   12.9637  -21.0352    0.0000 C   0  0
   12.9658  -19.5343    0.0000 C   0  0
   11.6676  -18.7813    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   10.3716  -16.5273    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 P   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  5
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  3
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2636    2.2496    0.0000 C   0  0
   -2.5801   -0.0303    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 27 30  1  0
 27 31  1  0
M  CHG  2  22  -1  27   1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13438

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
Perifosine

> <ctcr_id>
3857

> <supplier_cmpd_id>
T2492

> <smiles>
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C

> <pd_targets>
{AKT1,MAPK14}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CMGC protein kinase group","AGC protein kinase AKT family","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Akt (Protein kinase B","PKB) family","Mitogen-activated protein kinases (MAP k
inases)","p38 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","RNA Polymerase II Transcription","Innate Immune System","Generic Transcription Pathway","Toll-like Receptor Cascades","Transcriptional Regulation by
 TP53","Toll Like Receptor 5 (TLR5) Cascade","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Expression and Degradation","MAP kinase activation","Regulat
ion of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Perifosine,157716-52-4,157716524,"157716 52 4","1,1-Dimethylpiperidin-1-ium-4-yl octadecyl phosphate","1,1Dimethylpiperidin1ium4yl octadecyl phosphate","1,1 Dimethylpiperidin 1 ium 4 yl octadecyl pho
sphate",KRX-0401,KRX0401,"KRX 0401",(1,1-dim,1dim,S1037}

> <pdid>
PD012222

> <targets>
{Akt,PI3K}

> <classes>
{}

> <pubchem_cids>
{148177}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8978   -0.7496    0.0000 C   0  0
   -5.1981   -1.4975    0.0000 C   0  0
   -6.4959   -0.7455    0.0000 C   0  0
   -6.4936    0.7545    0.0000 C   0  0
   -5.1933    1.5025    0.0000 C   0  0
   -3.8955    0.7504    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  4 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13439

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
LY294002

> <ctcr_id>
4842

> <supplier_cmpd_id>
T2008

> <smiles>
O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4

> <pd_targets>
{BLM,LMNA,GMNN,ALDH1A1,SMN1,PMP22,KDM4E,PIK3CD,PIK3CB,PRKDC,PIK3CA,MTOR,PIK3CG,PLK1,PIK3R1,PIK3R2,PIK3C2B,PIM3,CYP2D6,CYP1A2,PIM1,NFKB1,CYP2C19,CYP3A4,PLK3,PDE2A,TSHR,BRD3,PLK2,HIF1A,ALOX15,THPO,CYP2C
9,BRD4,BRD2,PIK3C2A,HSD17B10,CDK8,PDE3A,PDE3B,GSK3B,CSNK2A1,CSNK2A2,CSNK2B,HTR2B,PDE5A,HTR2A,CACNA1C,CACNB2,HTR2C}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Transcription factor","Ion channel",Oxidoreductase,Reader,Eraser,Transferas
e,Kinase,Protease,"Cytochrome P450",Phosphodiesterase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Methyl-lysine/arginine binding protein","Lysine demethylase","Protein Kinase","
Cysteine protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Phosphodiesterase 2","Peptide receptor (family A GPCR)",Bromodomain,"Phosphodiesterase 3","Small mo
lecule receptor (family A GPCR)","Phosphodiesterase 5","Voltage-gated calcium channel","Tudor domain","Jumonji domain-containing","Atypical protein kinase group","Other protein kinase group","CAMK pro
tein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Phosphodiesterase 2A","Glycohormone rece
ptor","CMGC protein kinase group","Phosphodiesterase 3A","Monoamine receptor","Phosphodiesterase 5A","Atypical protein kinase PIKK family","Other protein kinase PLK family","CAMK protein kinase PIM fa
mily","Cysteine protease C1A family","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","CMGC protein kinase CDK family","CMGC protein kinas
e GSK family","Other protein kinase CK2 family","Serotonin receptor","Atypical protein kinase FRAP subfamily","Other protein kinase PLK2","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Catalytic receptors","Glycerophospholipid turnover","Cytochrome P450","Cyclic nucleotide turnover/signalling","G protein-couple
d receptors","Eicosanoid turnover","1.14.11.- Histone demethylases","Lipid modifying kinases",Atypical,"Receptor kinases","Phosphatidylinositol kinases","CAMK: Calcium/calmodulin-dependent protein kin
ases","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Glycoprotein hormone receptors","Enzymatic bromodomain-containing protein
s",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinase
s (PIKK) family","Other protein kinases","Phosphatidylinositol-4-phosphate 3-kinase family","PIM family","Bromodomain kinase (BRDK) family","Cyclin-dependent kinase (CDK) family","Glycogen synthase ki
nase (GSK) family","Other PIKK family kinases","FRAP subfamily","Polo-like kinase (PLK) family","CDK8 subfamily","GSK subfamily"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle",Metabolism,"Metabolism of RNA","Developmental Biology","Immune System","Signal Transduction",Disease,"Gene expression (Transcription)",Hemostasis,"Cellular responses to exte
rnal stimuli","DNA Double-Strand Break Repair",Mitotic,"Biological oxidations","Metabolism of non-coding RNA","Nervous system development","Cytokine Signaling in Immune system","Signaling by Receptor 
Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Metabolism of lipids","Platelet homeostas
is","Infectious disease","Cellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Signaling by GPCR","Homology Directed Repair","M 
Phase","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","snRNP Assembly","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by Interleukins","
Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","FLT3 si
gnaling in disease","Biosynthesis of specialized proresolving mediators (SPMs)","Nitric oxide stimulates guanylate cyclase","Leishmania infection","Cellular response to hypoxia","Platelet Aggregation 
(Plug Formation)","SARS-CoV Infections","Branched-chain amino acid catabolism","Signaling by NOTCH1 in Cancer","GPCR ligand binding","HDR through Homologous Recombination (HRR) or Single Strand Anneal
ing (SSA)","Mitotic Metaphase and Anaphase","G1/S Transition","Ethanol oxidation",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","STING mediated induction of 
host immune responses","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Cytochrome P450 - arranged by substrate type","Signaling by FLT3 ITD and 
TKD mutants","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","cGMP effects","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible F
actor Alpha","Biosynthesis of DPA-derived SPMs","Potential therapeutics for SARS","Transcriptional regulation by RUNX3","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","SARS-CoV-1 Infection","C
lass A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Interleukin receptor SHC signaling","IRS-mediated sign
alling","IRF3-mediated induction of type I IFN","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome maturation",Xenobiotics,"STAT5 a
ctivation downstream of FLT3 ITD mutants","Interleukin-1 signaling","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","RUNX3
 regulates p14-ARF","Synthesis of PIPs at the early endosome membrane","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","SARS-CoV-1 Genome Replication and Transcription","Amine ligand-binding
 receptors","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation"
,"Loss of proteins required for interphase microtubule organization from the centrosome","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent 
MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","ADORA2B mediated anti-inflammatory cytokines production","CD163 mediating an anti-inflamm
atory response","Biosynthesis of DPAn-3-derived protectins and resolvins","Replication of the SARS-CoV-1 genome","Serotonin receptors","Presynaptic phase of homologous DNA pairing and strand exchange"
,"Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{AKT1,CHEK1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PLK1,PRKCA,PRKDC,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"DNA dependent protein kinase inhibitor","mTOR inhibitor","phosphodiesterase inhibitor","PI3K inhibitor","PLK inhibitor"}

> <synonyms>
{154447-36-6,154447366,LY294002,"LY 294002",LY-294002,2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one,2(4Morpholinyl)8phenyl4H1benzopyran4one,2-morpholino-8-phenyl-4H-chromen-4-one,2morpholino8phenyl
4Hchromen4one,2-morpholin-4-yl-8-phenyl-4H-chromen-4-one,2morpholin4yl8phenyl4Hchromen4one,UNII-31M2U1DVID,UNII31M2U1DVID,2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one,2(morpholin4yl)8phenyl4Hchromen4o
ne,31M2U1DV,T4079,T2008,"EMD 440202",S1105,ST-420,"LY-294002 hydrochloride",440202}

> <pdid>
PD007784

> <targets>
{PI3K,"PI 3-K",Apoptosis,Autophagy,"Casein Kinase",DNA-PK}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{3973}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    7.7671   -1.5455    0.0000 C   0  0
    6.2736   -1.6855    0.0000 C   0  0
    5.4061   -0.4618    0.0000 C   0  0
    5.6479   -3.0468    0.0000 N   0  0
    6.3738   -4.3594    0.0000 N   0  0
    5.3497   -5.4554    0.0000 C   0  0
    5.6344   -6.9282    0.0000 C   0  0
    3.9908   -4.8201    0.0000 N   0  0
    4.1959   -3.3461    0.0000 C   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.5767   -2.8095    0.0000 N   0  0
   -5.2015   -2.2290    0.0000 C   0  0
   -6.2343   -1.1588    0.0000 C   0  0
   -7.5748   -1.8319    0.0000 N   0  0
   -7.3488   -3.3148    0.0000 N   0  0
   -5.8687   -3.5582    0.0000 C   0  0
   -8.4145   -4.3680    0.0000 C   0  0
   -8.0343   -5.8190    0.0000 C   0  0
   -9.4809   -5.4229    0.0000 C   0  0
   -9.8621   -3.9719    0.0000 C   0  0
  -10.9290   -5.0263    0.0000 O   0  0
  -10.2423   -2.5209    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 12  1  0
 22 23  2  0
 23 10  1  0
 18 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 24  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13440

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
Taselisib

> <ctcr_id>
3601

> <supplier_cmpd_id>
T1999

> <smiles>
CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(=O)N

> <pd_targets>
{PIK3CB,PIK3CD,PIK3C3,PIK3CG,PIK3CA,MTOR,PIK3C2B,PIK3R2,PIK3R1,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Lipid modifying kinases",Atypical,"Phosphatidylinositol kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylin
ositol 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidylinositol-4-phosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Disea
ses of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Si
gnaling by FGFR in disease","Generic Transcription Pathway","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Signaling by FGFR1 in disease","Tr
anscriptional Regulation by TP53","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activ
ity","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CA}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{1282512-48-4,1282512484,Taselisib,GDC-0032,GDC0032,"GDC 0032",UNII-L08J2O299M,UNIIL08J2O299M,"Taselisib (GDC0032)",CHEMBL2387080,L08J2O299M,"Taselisib (INN)",RG7604,"Taselisib (USAN:INN)","RG 7604",R
G-7604,TaselisibGDC-0032,TaselisibGDC0032,"Taselisib (USAN/INN)","Taselisib (GDC-0032)",GTPL7,T1999,S7103}

> <pdid>
PD012669

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{51001932}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 35 40  0  0  0  0            999 V2000
    7.3352    6.5059    0.0000 C   0  0
    8.0901    5.2097    0.0000 S   0  0
    9.5901    5.2159    0.0000 O   0  0
    8.8349    6.5117    0.0000 O   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -4.2128    0.7135    0.0000 C   0  0
   -5.7049    0.8679    0.0000 N   0  0
   -6.3128   -0.5034    0.0000 N   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 10  1  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 12  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 19  1  0
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
  8 34  1  0
 34 35  1  0
 35  5  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13441

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
Pictilisib

> <ctcr_id>
11433

> <supplier_cmpd_id>
T1994

> <smiles>
CS(=O)(=O)N1CCN(CC2=CC3=C(S2)C(=NC(=N3)C2=C3C=NNC3=CC=C2)N2CCOCC2)CC1

> <pd_targets>
{NTRK1,PIK3CG,MTOR,CLK4,HIPK1,PIK3CB,PIK3CA,PIK3C2G,DAPK1,GAK,DAPK3,CAMK1G,HIPK2,PIK3R1,IRAK3,PIK3C2B,PI4KB,MAPK8,HIPK3,FLT3,PIK3CD,CLK1,STK16,CSNK1D,PRKDC,MYLK4,MAP3K19,CAMK1,CDK7,JAK1,TYK2,RPS6KA3,C
ILK1,PLK4,AAK1,CLK2,MAPK9,CSNK1E,CDK18,EPHB6,MELK,TTK,RIOK2,PIK3C3,PIK3R2,RPS6KA6,MAPK10,PIK3C2A,PIK3R5,CDK16,CSNK2A2,DYRK2,KCNH2,ABCB11,ABCC4,HIPK4,LRRK2,DYRK1B,AKT1,PIK3R3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Transporter,Kinase,Transferase,"Voltage-gated ion channel","Primary active transporter","Protein Kinase","Potassium channels","ATP-binding cassette","TK pr
otein kinase group","Atypical protein kinase group","CMGC protein kinase group","CAMK protein kinase group","Other protein kinase group","TKL protein kinase group","CK1 protein kinase group","STE prot
ein kinase group","AGC protein kinase group","Voltage-gated potassium channel","ABCB subfamily","ABCC subfamily","Tyrosine protein kinase Trk family","Atypical protein kinase PIKK family","CMGC protei
n kinase CLK family","CMGC protein kinase DYRK family","CAMK protein kinase DAPK family","Other protein kinase NAK family","CAMK protein kinase CAMK1 family","TKL protein kinase IRAK family","CMGC pro
tein kinase MAPK family","Tyrosine protein kinase PDGFR family","CK1 protein kinase CK1 family","CAMK protein kinase MLCK family","STE protein kinase STE11 family","CMGC protein kinase CDK family","Ty
rosine protein kinase JakA family","AGC protein kinase RSK family","CMGC protein kinase RCK family","Other protein kinase PLK family","Other protein kinase TTK family","Atypical protein kinase RIO fam
ily","Other protein kinase CK2 family","TKL protein kinase LRRK family","AGC protein kinase AKT family","Atypical protein kinase FRAP subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kina
se JNK subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase MAK","CMGC protein kinase PCTAIRE","CAMK protein kinase MELK subfamily","Atypical protein
 kinase RIO2 subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Voltage-gated ion channels","ATP-binding cassette transporter family","Recep
tor kinases","Lipid modifying kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Phosphatidylinositol kinases","CK1: Casein kinase 
1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","Potassium channels","ABCB subfamily","ABCC subfamily","TK: Tyrosine kinase",Phosphatid
ylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family
","Phosphatidylinositol-4-phosphate 3-kinase family","Death-associated kinase (DAPK) family","Other protein kinases","CAMK1 family","TKL: Tyrosine kinase-like","1-phosphatidylinositol 4-kinase family"
,"Mitogen-activated protein kinases (MAP kinases)","Casein kinase 1 (CK1) family","Myosin Light Chain Kinase (MLCK) family","STE20 family","Cyclin-dependent kinase (CDK) family","RSK family","RCK fami
ly","CAMK-like (CAMKL) family","RIO family","Phosphatidylinositol 3-kinase family","Voltage-gated potassium channels","Akt (Protein kinase B","PKB) family","Receptor tyrosine kinases (RTKs)","FRAP sub
family","HIPK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","JNK subfamily","NAK family","Other PIKK family kinases","STE20 subfamily","CDK7
 subfamily","Non-receptor tyrosine kinases (nRTKs)","RSK subfamily","Polo-like kinase (PLK) family","TAIRE subfamily","MELK subfamily","TTK family","RIO2 subfamily","Casein kinase 2 (CK2) family","Dyr
k2 subfamily","Leucine-rich repeat kinase (LRRK) family","Dyrk1 subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA)
 family","Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Gene expression (Transcription)",Disease,"Programmed Cell Death","Vesicle-mediated transport","Immune System","Cell Cycle","Neuronal System","Developmental Biology",
"Metabolism of RNA","Muscle contraction",Hemostasis,"Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor 
receptors and second messengers",Apoptosis,"Membrane Trafficking","Innate Immune System","Cytokine Signaling in Immune system",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Ner
vous system development","rRNA processing","Cardiac conduction","Platelet activation","signaling and aggregation","Signaling by Non-Receptor Tyrosine Kinases","Signaling by NTRKs","Phospholipid metabo
lism","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by FGFR in disease","Caspase activation via extrinsic apoptotic signalling pathway","trans-Golgi Network Vesicle Buddin
g","Toll-like Receptor Cascades","Signaling by Interleukins","Mitotic G2-G2/M phases","Cytosolic sensors of pathogen-associated DNA","Neurotransmitter receptors and postsynaptic signal transmission","
HIV Infection","Interferon Signaling","Clathrin-mediated endocytosis","Axon guidance","rRNA processing in the nucleus and cytosol","Phase 3 - rapid repolarisation","Metabolism of steroids","Response t
o elevated platelet cytosolic Ca2+","Signaling by PTK6","Signaling by NTRK1 (TRKA)","PI Metabolism","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","Signaling by FGFR1 in di
sease","Caspase activation via Dependence Receptors in the absence of ligand","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor 5 (TLR5) Cascade",Interleu
kin-3,"Interleukin-5 and GM-CSF signaling","G2/M Transition","STING mediated induction of host immune responses","Activation of NMDA receptors and postsynaptic events","HIV Life Cycle","Antiviral mech
anism by IFN-stimulated genes","Interferon alpha/beta signaling","Cargo recognition for clathrin-mediated endocytosis","EPH-Ephrin signaling","Major pathway of rRNA processing in the nucleolus and cyt
osol","Bile acid and bile salt metabolism","Platelet degranulation","PTK6 promotes HIF1A stabilization","Signalling to ERKs","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Activity","I
RS-mediated signalling","FGFR1 mutant receptor activation","Synthesis of PIPs at the Golgi membrane","Toll Like Receptor TLR6:TLR2 Cascade","MyD88 cascade initiated on plasma membrane","Interleukin re
ceptor SHC signaling","Centrosome maturation","IRF3-mediated induction of type I IFN","Post NMDA receptor activation events","Late Phase of HIV Life Cycle","ISG15 antiviral mechanism","Regulation of I
FNA signaling","EPHB-mediated forward signaling","Synthesis of PIPs at the early endosome membrane","Synthesis of bile acids and bile salts","Prolonged ERK activation events","Regulation of TP53 Expre
ssion and Degradation","Regulation of TP53 Activity through Phosphorylation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","MAP k
inase activation","Loss of proteins required for interphase microtubule organization from the centrosome","Activation of RAC1 downstream of NMDARs","Transcription of the HIV genome","CREB1 phosphoryla
tion through NMDA receptor-mediated activation of RAS signaling","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ARMS-mediated activation","Regulation of TP53 Degradation","MAP
K targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","HIV Transcription Elongation","RSK activation","Activation of the AP-1 family of transcription factors","Tat-
mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{957054-30-7,957054307,GDC-0941,GDC0941,PICTILISIB,Pictrelisib,"GDC 0941",UNII-ICY00EMP8P,UNIIICY00EMP8P,"Pictilisib (GDC-0941)","Pictilisib (GDC0941)",ICY00EMP8P,"GDC-0941 (Pictilisib)","GDC0941 (Pic
tilisib)",CHEBI:65326,"957054-30-7 (free base)","957054307 (free base)",C23H27N7O3S2,GD9,957054-50-1,957054501,"Pictilisib (USAN:INN)","Pictilisib (US",T1994,Pictilisib}

> <pdid>
PD003253

> <targets>
{PI3K,p110¦Á,p110¦Â,p110¦Ã,p110¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{17755052}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   11.8498    3.9328    0.0000 C   0  0
   10.3498    3.9230    0.0000 C   0  0
    9.5901    5.2174    0.0000 C   0  0
   10.3335    6.5202    0.0000 C   0  0
    9.5769    7.8154    0.0000 N   0  0
    8.0769    7.8078    0.0000 C   0  0
    7.3335    6.5050    0.0000 N   0  0
    8.0900    5.2096    0.0000 C   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 16  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 12 27  1  0
 27 28  1  0
 28  9  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13442

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
PF-4708671

> <ctcr_id>
11434

> <supplier_cmpd_id>
T2002

> <smiles>
CCc1cncnc1N1CCN(Cc2nc3c([nH]2)cc(cc3)C(F)(F)F)CC1

> <pd_targets>
{RPS6KB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase RSK family","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","RSK family","p70 subfamily"}

> <pathway_reactome>
{"Signal Transduction","MTOR signalling","mTORC1-mediated signalling"}

> <broad_targets>
{RPS6KB1}

> <broad_moa>
{"ribosomal protein inhibitor"}

> <synonyms>
{F470867,PF-4708671,PF4708671,1255517-76-0,1255517760,"PF 4708671",PF-04708671,PF04708671,MFCD18086922,C19H21F3N6,5FI,MLS006011193,GTPL8036,CHEMBL2134202,SCHEMBL17714406,AOB5417,DTXSID10680074,EX-A248
,EXA248,SYN1177,HMS3263P20,HMS3651E14,HMS3673K17,BCP07961,Tox21_501279,Tox21501279,Tox21-501279,"Tox21 501279",2644AH,s216,T2002}

> <pdid>
PD003285

> <targets>
{"p70 S6K"}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{51371303}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 37 43  0  0  0  0            999 V2000
    5.6344   -6.9282    0.0000 O   0  0
    5.3497   -5.4554    0.0000 C   0  0
    6.3738   -4.3594    0.0000 N   0  0
    5.6479   -3.0468    0.0000 C   0  0
    6.2748   -1.6841    0.0000 O   0  0
    4.1959   -3.3461    0.0000 C   0  0
    3.9908   -4.8201    0.0000 C   0  0
    2.6721   -5.5365    0.0000 C   0  0
    1.3985   -4.7665    0.0000 C   0  0
    0.2789   -5.7646    0.0000 N   0  0
    0.8821   -7.1371    0.0000 C   0  0
    0.2652   -8.5044    0.0000 C   0  0
    1.1409   -9.7223    0.0000 C   0  0
    2.6334   -9.5729    0.0000 C   0  0
    3.2503   -8.2056    0.0000 C   0  0
    2.3746   -6.9877    0.0000 N   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.4476   -2.9002    0.0000 C   0  0
   -0.6591   -4.1763    0.0000 C   0  0
    0.8402   -4.1314    0.0000 C   0  0
    1.5767   -2.8095    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -2.5283    2.0123    0.0000 C   0  0
   -2.3073    3.4959    0.0000 O   0  0
   -3.9246    1.4620    0.0000 N   0  0
   -5.1006    2.3932    0.0000 C   0  0
   -6.4951    1.8403    0.0000 C   0  0
   -6.7135    0.3563    0.0000 C   0  0
   -5.5375   -0.5749    0.0000 C   0  0
   -4.1431   -0.0220    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  8  1  0
 16 11  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 17  1  0
 28 29  2  0
 29 19  1  0
 29 24  1  0
 22 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13443

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
LY2090314

> <ctcr_id>
906

> <supplier_cmpd_id>
T1755

> <smiles>
O=C1NC(=O)C(=C1c2cnc3ccccn23)c4cn5CCN(Cc6cccc4c56)C(=O)N7CCCCC7

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEMBL362588,603281-60-3,603281603,SCHEMBL19075511,DTXSID20461492,BDBM50150702,S7063,LY2090314}

> <pdid>

> <targets>
{GSK-3}

> <classes>
{}

> <pubchem_cids>
{11294864}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    1.2936   -0.7439    0.0000 C   0  0
    2.5953   -1.4891    0.0000 C   0  0
    3.8914   -0.7340    0.0000 O   0  0
    2.6003   -2.9899    0.0000 C   0  0
    3.9034   -3.7329    0.0000 C   0  0
    3.9115   -5.2329    0.0000 N   0  0
    2.6165   -5.9899    0.0000 C   0  0
    2.6245   -7.4899    0.0000 C   0  0
    1.3296   -8.2469    0.0000 C   0  0
    0.0265   -7.5039    0.0000 C   0  0
    0.0184   -6.0039    0.0000 N   0  0
    1.3134   -5.2469    0.0000 C   0  0
    1.3053   -3.7469    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
   -1.2946   -3.7547    0.0000 C   0  0
   -1.2937   -5.2548    0.0000 C   0  0
   -2.5923   -6.0056    0.0000 C   0  0
   -3.8918   -5.2565    0.0000 C   0  0
   -3.8928   -3.7565    0.0000 C   0  0
   -2.5943   -3.0056    0.0000 C   0  0
   -5.1926   -6.0051    0.0000 C   0  0
   -6.4918   -5.2537    0.0000 N   0  0
   -7.7919   -6.0019    0.0000 C   0  0
   -6.4902   -3.7537    0.0000 C   0  0
   -1.2691   -8.2612    0.0000 C   0  0
   -1.2635   -9.7613    0.0000 C   0  0
   -2.5597  -10.5162    0.0000 C   0  0
   -3.8616   -9.7711    0.0000 C   0  0
   -3.8673   -8.2711    0.0000 C   0  0
   -2.5711   -7.5162    0.0000 C   0  0
   -5.1692   -7.5261    0.0000 Cl  0  0
   -5.1578  -10.5260    0.0000 O   0  0
   -2.5540  -12.0162    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  7  1  0
 12 13  2  3
 13  4  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 10 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 25  1  0
 29 31  1  0
 28 32  1  0
 27 33  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13444

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
OTSSP167

> <ctcr_id>
7656

> <supplier_cmpd_id>
T1759

> <smiles>
CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl

> <pd_targets>
{MELK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","MELK subfamily"}

> <pathway_reactome>
{}

> <broad_targets>
{MELK}

> <broad_moa>
{"maternal embryonic leucine zipper kinase inhibitor"}

> <synonyms>
{OTSSP167,1431697-89-0,1431697890,OTS-167,OTS167,OTSSP-167,"OTSSP167 free base",UNII-VY778IXU5T,UNIIVY778IXU5T,VY778IXU5T,"1431697-89-0 (free base)","1431697890 (free base)","MELK inhibitor",AMX10201,
"Melk inhibitor OTS167",GTPL8046,CHEMBL3688339,CHEMBL3692820,SCHEMBL16337704,SCHEMBL16337706,SCHEM,S7159}

> <pdid>
PD015651

> <targets>
{MELK}

> <classes>
{}

> <pubchem_cids>
{135398499}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   15.6663    3.9125    0.0000 C   0  0
   15.3585    2.4444    0.0000 N   0  0
   16.3586    1.3265    0.0000 C   0  0
   15.6045    0.0299    0.0000 C   0  0
   14.1383    0.3464    0.0000 N   0  0
   14.0051    1.8277    0.0000 C   0  0
   12.7066    2.5801    0.0000 C   0  0
   12.7090    4.0801    0.0000 C   0  0
   11.4111    4.8322    0.0000 C   0  0
   10.1108    4.0843    0.0000 N   0  0
   10.1085    2.5842    0.0000 C   0  0
   11.4064    1.8322    0.0000 C   0  0
    8.8111    4.8347    0.0000 C   0  0
    8.8111    6.3347    0.0000 N   0  0
    7.5120    7.0847    0.0000 C   0  0
    6.2130    6.3347    0.0000 N   0  0
    6.2130    4.8347    0.0000 C   0  0
    7.5121    4.0847    0.0000 C   0  0
    7.2006    2.6182    0.0000 C   0  0
    5.7088    2.4614    0.0000 N   0  0
    5.0987    3.8317    0.0000 N   0  0
   16.2106   -1.3431    0.0000 C   0  0
   17.6807   -1.6146    0.0000 C   0  0
   18.1815   -3.0285    0.0000 C   0  0
   17.2074   -4.1692    0.0000 C   0  0
   15.7325   -3.8959    0.0000 C   0  0
   15.2317   -2.4819    0.0000 C   0  0
   17.7082   -5.5831    0.0000 F   0  0
   19.6572   -3.3019    0.0000 C   0  0
   20.6321   -2.1619    0.0000 F   0  0
   20.1576   -4.7160    0.0000 F   0  0
   21.1320   -3.5759    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 21 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 28  1  0
 15 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 36 39  1  0
 35 40  1  0
 40 41  1  0
 40 42  1  0
 40 43  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13445

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
LY2584702 tosylate

> <ctcr_id>
12793

> <supplier_cmpd_id>
T1746

> <smiles>
Cc1ccc(cc1)S(=O)(=O)O.Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1cc(c(cc1)F)C(F)(F)F

> <pd_targets>
{RPS6KB1,RPS6KA1,RPS6KA2,RPS6KA3,RPS6KA4,RPS6KA5,RPS6KA6,RPS6KB2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase RSK family","AGC protein kinase p70 subfamily","AGC protein kinase MSK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","RSK family","p70 subfamily"}

> <pathway_reactome>
{"Signal Transduction","MTOR signalling","mTORC1-mediated signalling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1082949-68-5,1082949685,"LY2584702 tosylate","LY-2584702 tosylate salt","LY2584702 tosylate salt","LY-2584702 (tosylate salt)","LY2584702 (tosylate salt)","1082949-68-5 (tosylate)","1082949685 (tosyl
ate)",LYS6K2,LY2584702.TsOH,"LY 2584702 tosylate","LY-2584702 Tosylate","LY2584702 Tosylate","LY-2584702 free base","LY2584702 free base",SCH,T1746}

> <pdid>
PD038909

> <targets>
{"S6 Kinase","p70 S6K","Ribosomal S6 Kinase (RSK)"}

> <classes>
{PI3K/Akt/mTOR signaling,MAPK/ERK Pathway}

> <pubchem_cids>
{46205871}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 39 44  0  0  1  0            999 V2000
    6.4789   -8.2669    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0  2  0  0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0  2  0  0  0
    1.2827   -8.2489    0.0000 C   0  0
    3.8808   -8.2579    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 S   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0007    0.0000 C   0  0
   -6.4940    3.7529    0.0000 C   0  0
   -6.4917    5.2529    0.0000 C   0  0
   -7.7895    6.0049    0.0000 O   0  0
   -5.1914    6.0008    0.0000 C   0  0
   -3.8936    5.2488    0.0000 C   0  0
   -3.8960    3.7488    0.0000 O   0  0
   -2.5927    5.9971    0.0000 N   0  0
   -2.5879    7.4972    0.0000 C   0  0
   -1.2865    8.2430    0.0000 C   0  0
    0.0102    7.4889    0.0000 O   0  0
    0.0054    5.9889    0.0000 C   0  0
   -1.2960    5.2431    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  2  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
 19 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 18  1  0
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  3
 32 33  1  0
 33 27  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13446

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
KU-60019

> <ctcr_id>
7152

> <supplier_cmpd_id>
T2474

> <smiles>
C[C@@H]1CN(C[C@H](C)O1)CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4C5=CC(=O)C=C(O5)N6CCOCC6

> <pd_targets>
{ATM}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Cell Cycle","Cell Cycle Checkpoints","G1/S DNA Damage Checkpoints","p53-Dependent G1/S DNA damage checkpoint","p53-Dependent G1 DNA Damage Response","Stabilization of p53","Autodegradation of the E3
 ubiquitin ligase COP1"}

> <broad_targets>
{ATM}

> <broad_moa>
{"ATM kinase inhibitor"}

> <synonyms>
{KU-60019,KU60019,925701-49-1,925701491,ku60019,"KU 60019",UNII-IAN358A69K,UNIIIAN358A69K,925701-46-8,925701468,IAN358A69K,CHEMBL2140173,C30H33N3O5S,cc-509,cc509,MLS006011020,GTPL8041,SCHEMBL3681453,A
OB3627,DTXSID00580453,EX-A658,EXA658,BCP02304,ABP000418,BDBM50059640,s1570,AKOS024458015,ZINC100071759,CCG,S1570}

> <pdid>
PD003277

> <targets>
{ATM}

> <classes>
{}

> <pubchem_cids>
{15953870}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    9.0755  -14.2726    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -4.0404    5.2322    0.0000 N   0  0
   -5.5083    5.5410    0.0000 N   0  0
   -6.2556    4.2405    0.0000 C   0  0
   -5.2496    3.1278    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13447

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
PHT-427

> <ctcr_id>
2963

> <supplier_cmpd_id>
T2420

> <smiles>
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc2nncs2

> <pd_targets>
{GAB1,ABCB11,AKT2,AKT1,PDPK1}

> <pathway_gtopdb>
{"Unclassified protein",Transporter,Enzyme,"Primary active transporter",Kinase,"ATP-binding cassette","Protein Kinase","ABCB subfamily","AGC protein kinase group","AGC protein kinase AKT family","AGC 
protein kinase PDK1 subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","ABCB subfamily","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family","PDK1 family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","RNA Polymerase II Transcription","Signaling by FGFR","Metabolism of
 steroids","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by FGFR1","Bile acid and bile salt metabolism","Insulin receptor signalling cascade","Transcriptional Regulation b
y TP53","Downstream signaling of activated FGFR1","Synthesis of bile acids and bile salts","IRS-mediated signalling","Regulation of TP53 Activity","PI-3K cascade:FGFR1","Synthesis of bile acids and bi
le salts via 7alpha-hydroxycholesterol","PI3K Cascade","Regulation of TP53 Expression and Degradation","PKB-mediated events","Regulation of TP53 Degradation","PDE3B signalling"}

> <broad_targets>
{AKT2,PDPK1}

> <broad_moa>
{"AKT inhibitor","pyruvate dehydrogenase inhibitor"}

> <synonyms>
{HT42,PHT-427,PHT427,1191951-57-1,1191951571,"4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide","4dodecylN(1,3,4thiadiazol2yl)benzenesulfonamide","PHT 427",CHEMBL595583,C20H31N3O2S2,"4-Dodecyl-N-
1,3,4-thiadiazol-2-yl-benzenesulfonamide","4DodecylN1,3,4thiadiazol2ylbenzenesulfonamide","Benzenesulfonamide, 4-dodecyl-N-1,3,4-thiadiazol-2-yl-","Benzenesulfonamide, 4dodecylN1,3,4thiadiazol2yl",4-D
odecyl-N-(1,4DodecylN(1,T2420,S1556}

> <pdid>
PD010973

> <targets>
{"Akt | PDK-1",PDK-1,Akt}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{44240850}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 N   0  0
    6.2815   -1.5087    0.0000 C   0  0
    7.7400   -1.8590    0.0000 C   0  0
    8.7727   -0.7711    0.0000 C   0  0
    8.3468    0.6672    0.0000 C   0  0
    9.3795    1.7552    0.0000 O   0  0
    6.8883    1.0176    0.0000 C   0  0
    5.8557   -0.0704    0.0000 C   0  0
    4.3570   -0.0307    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16  7  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  4  1  0
 23 17  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13448

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
Torkinib

> <ctcr_id>
1626

> <supplier_cmpd_id>
T2414

> <smiles>
CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c4c(N)ncnc14

> <pd_targets>
{DYRK1A,PI4KB,PIK3CA,PIK3CG,MTOR,ABL1,EGFR,EPHB4,MAP2K4,BRSK2,CSNK1A1L,CAMK1D,CLK2,EPHA3,FGR,FLT1,FLT3,IRAK4,KIT,MAP2K2,MLST8,RPTOR,MAP2K5,ANKK1,LCK,EPHA5,SIK2,PAK5,NLK,MYO3A,TNK2,BRD4,CSNK2A2,ERBB3,B
MPR1B,CDK8,AXL,BLK,MAP4K1,ABL2,PIM3,BRAF,EPHA6,MKNK1,ACVR2A,MAP3K3,PIK3C2B,MAP2K3,EIF2AK2,GAK,HIPK3,PLK4,BMP2K,HIPK2,STK35,MAP3K20,MAP3K7,PIP4K2C,MAP3K19,CSNK1G1,MAP4K4,MAP3K1,PRKCE,STK10,NTRK2,PLK2,C
DK19,MARK2,STK26,PDGFRA,PIM2,MERTK,PAK4,RPS6KA6,FGFR3,DAPK1,PIM1,STK17B,RET,LRRK2,CAMK2A,EPHA4,EPHA8,EPHB1,EPHB2,LTK,MAP2K1,CSNK1G2,FRK,HCK,LYN,PIK3CD,PLK3,EPHA2,TGFBR2,JAK3,CLK1,CSNK1D,DAPK3,FGFR2,MA
PKAP1,RICTOR,DDR1,ACVR2B,EPHB6,MAP4K2,STK16,ERBB2,TAOK1,PIK3CB,BTK,CDK4,MYO3B,CDK7,TNK1,DAPK2,AAK1,TNIK,MYLK,MAP3K9,AKT3,MKNK2,RIOK2,KDR,SIK3,CHEK2,JAK1,RIPK2,DMPK,STK33,FGFR4,FYN,PTK6,PHKG2,PRKACA,PR
KG2,RPS6KB1,RPS6KA4,FLT4,MINK1,RPS6KA1,PRKCH,CSF1R,CSK,CSNK1A1,GRK7,PAK2,STK32A,GRK1,JAK2,DYRK2,NTRK1,ACVR1B,ACVR1,PIK3C2G,IRAK3,TNNI3K,STK32B,RIPK4,CSNK2A1,HIPK1,STK3,MYLK3,PIP5K1C,SLK,BMPR2,BMX,ROS1
,BMPR1A,CSNK1G3,TTK,TEK,PAK6,RPS6KA3,TAOK2,RPS6KA5,PRKDC,COQ8B,PKNB,CDPK1,DSTYK,SRC,YES1,TYK2,FGFR1,EPHA1,CASK,ALK,BRSK1,CAMKK2,ULK3,IRAK1,TXK,TGFBR1,TESK1,LATS2,MELK,TAOK3,CLK4,HIPK4,SIK1,MAP3K2,COQ8
A,ULK2,PDGFRB,CSNK1E,MAPK14,DDR2,ACVRL1,NUAK2,DCLK3,PASK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"CMGC protein kinase group","Atypical protein kinase group","TK protein kinase group","STE 
protein kinase group","CAMK protein kinase group","CK1 protein kinase group","TKL protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase DYRK family","Atypi
cal protein kinase PIKK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","STE protein kinase STE7 family","CAMK protein kinase CA
MK1 family","CK1 protein kinase CK1 family","CMGC protein kinase CLK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","TKL pro
tein kinase IRAK family","TKL protein kinase RIPK family","STE protein kinase STE20 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Ack family","Other protein kinase CK2 family","TK
L protein kinase STKR family","CMGC protein kinase CDK family","Tyrosine protein kinase Axl family","CAMK protein kinase PIM family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family
","STE protein kinase STE11 family","Other protein kinase PEK family","Other protein kinase NAK family","Other protein kinase PLK family","Other protein kinase NKF4 family","TKL protein kinase MLK fam
ily","AGC protein kinase PKC family","Tyrosine protein kinase Trk family","AGC protein kinase RSK family","Tyrosine protein kinase FGFR family","CAMK protein kinase DAPK family","Tyrosine protein kina
se Ret family","TKL protein kinase LRRK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase JakA family","Tyrosine protein kinase DDR family","Tyro
sine protein kinase Tec family","CAMK protein kinase MLCK family","AGC protein kinase AKT family","Atypical protein kinase RIO family","CAMK protein kinase RAD53 family","AGC protein kinase DMPK famil
y","CAMK protein kinase unique family","CAMK protein kinase PHk family","AGC protein kinase PKA family","AGC protein kinase PKG family","Tyrosine protein kinase Csk family","AGC protein kinase GRK fam
ily","AGC protein kinase YANK family","Tyrosine protein kinase Sev family","Other protein kinase TTK family","Tyrosine protein kinase Tie family","Atypical protein kinase ABC1 family","Other protein k
inase CAMKK family","Other protein kinase ULK family","TKL protein kinase LISK family","AGC protein kinase NDR family","CAMK protein kinase DCAMK1 family","CMGC protein kinase Dyrk1 subfamily","Atypic
al protein kinase FRAP subfamily","CAMK protein kinase BRSK subfamily","CK1 protein kinase CK1-a","CAMK protein kinase QIK subfamily","STE protein kinase PAKB subfamily","CMGC protein kinase nmo subfa
mily","STE protein kinase NinaC subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase CDK8 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MNK subfamily","TKL p
rotein kinase STKR Type 2 subfamily","STE protein kinase MEKK2","Other protein kinase PKR","CMGC protein kinase HIPK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 subfamily","
STE protein kinase MSN subfamily","AGC protein kinase PKC eta subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase MARK subfamily","STE protein kinase YSK sub
family","AGC protein kinase RSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO2 subfamily","AGC protein kinase GEK subfamily","Tyrosine
 protein kinase SrcA","AGC protein kinase p70 subfamily","AGC protein kinase MSK subfamily","AGC protein kinase GRK subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase Dyrk2 subfamily"
,"TKL protein kinase STKR1","TKL protein kinase HH498 subfamily","STE protein kinase MST subfamily","CK1 protein kinase CK1-g","Atypical protein kinase ABC1-A subfamily","Other protein kinase Meta sub
family","TKL protein kinase TESK subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase PASK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases",Atypical,"Receptor kinases","STE
: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kinase 1","Enzymatic bromodomain-containing proteins","AGC: Containin
g PKA",PKG,"PKC families","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","1-phosphatidylinositol 4-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family
","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TK: Tyrosine kinase","STE7 family","CAMK-like (CAMKL) family","Casein kinase 1 (CK1) family","CAMK1 family","CLK family","TKL: Tyrosi
ne kinase-like","STE20 family","Mitogen-activated protein kinases (MAP kinases)","Bromodomain kinase (BRDK) family","Other protein kinases","Cyclin-dependent kinase (CDK) family","PIM family","MAPK-Ac
tivated Protein Kinase (MAPKAPK) family","STE11 family","Phosphatidylinositol-4-phosphate 3-kinase family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase C 
(PKC) family","RSK family","Death-associated kinase (DAPK) family","CAMK2 family","Myosin Light Chain Kinase (MLCK) family","Akt (Protein kinase B","PKB) family","RIO family","DMPK family","CAMK-uniqu
e family","Phosphorylase kinase (PHK) family","Protein kinase A (PKA) family","Protein kinase G (PKG) family","G protein-coupled receptor kinases (GRKs)","YANK family","Type I PIP kinases (1-phosphati
dylinositol-4-phosphate 5-kinase family)","ABC1 family","CASK family","NDR family","DCAMKL family","Dyrk1 subfamily","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases
 (RTKs)","BRSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Receptor interacting protein kinase (RIPK) family","QIK subfamily","PAKB subfamily","nmo subfamily","NinaC subfamily
","Casein kinase 2 (CK2) family","Receptor serine/threonine kinase (RSTK) family","CDK8 subfamily","KHS subfamily","RAF family","MKN subfamily","PEK family","Numb-associated kinase (NAK) family","HIPK
 subfamily","Polo-like kinase (PLK) family","NKF4 family","Mixed Lineage Kinase (MLK) family","STE20 subfamily","MSN subfamily","Eta subfamily","SLK subfamily","MARK subfamily","YSK subfamily","RSK su
bfamily","Leucine-rich repeat kinase (LRRK) family","NAK family","TAO subfamily","CDK4 subfamily","CDK7 subfamily","RIO2 subfamily","CHK1 subfamily","GEK subfamily","p70 subfamily","MSK subfamily","Op
sin/rhodopsin kinases","PAKA subfamily","Dyrk2 subfamily","MST subfamily","TTK family","Other PIKK family kinases","ABC1-B subfamily","Other-unique family","CAMKK family","Unc-51-like kinase (ULK) fam
ily","LIM domain kinase (LISK) family","MELK subfamily","p38 subfamily","NuaK subfamily","PASK subfamily","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ep
hrin receptor family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Type I receptor serine
/threonine kinases","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type II receptor serine/threonine kinases","Other PEK family kinases","MLK subfamily","TAK1 subfamily","Type VII RTK
s: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Janus kinase (
JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Tec family","Csk family","HH498 subfamily","Type XVII RTKs: ROS receptors","Type XII RTKs: TIE family of angiopoietin receptors","Meta su
bfamily","TESK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Immune System","Vesicle-mediated transport","Cellular responses to external stimuli","
Programmed Cell Death",Hemostasis,"Neuronal System","Extracellular matrix organization","Metabolism of RNA","Muscle contraction","Cell-Cell communication","Circadian Clock",Mitotic,"Metabolism of lipi
ds","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR","Nervous system development","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Signaling by WNT","Intracellular signaling by second messengers","Signaling by TGFB family members","Signaling by NODAL","Cytokine Signaling in 
Immune system","Membrane Trafficking","Cellular responses to stress",Apoptosis,"Cell surface interactions at the vascular wall","Transmission across Chemical Synapses","Signaling by Non-Receptor Tyros
ine Kinases","Non-integrin membrane-ECM interactions","Signaling by Rho GTPases","rRNA processing","Cardiac conduction","Metabolism of carbohydrates","MAPK family signaling cascades","MTOR signalling"
,"Signaling by Hippo","Signaling by Hedgehog","Cell junction organization","Mitotic G1 phase and G1/S transition","Phospholipid metabolism","Signaling by FGFR in disease","Generic Transcription Pathwa
y","Leishmania infection","GPCR downstream signalling","Axon guidance","Toll-like Receptor Cascades","Signaling by VEGF","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by NTR
Ks","HIV Infection","Beta-catenin independent WNT signaling","SARS-CoV Infections","PIP3 activates AKT signaling","Signaling by BMP","Signaling by NOTCH1 in Cancer","Signaling by FGFR","Regulation of 
signaling by NODAL","Signaling by Interleukins","Influenza Infection","trans-Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Cellular Senescence","Fcgamma receptor (FCGR) dependent phagocytos
is","Neutrophil degranulation","Regulation of lipid metabolism by PPARalpha","Apoptotic execution phase","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmissio
n","Caspase activation via extrinsic apoptotic signalling pathway","FLT3 signaling in disease","Signaling by PTK6","Sphingolipid metabolism","Signaling by TGF-beta Receptor Complex in Cancer","M Phase
","Clathrin-mediated endocytosis","RHO GTPase Effectors","rRNA processing in the nucleus and cytosol","Interferon Signaling","Ion homeostasis","Glycogen metabolism","MAPK1/MAPK3 signaling","mTORC1-med
iated signalling","Oncogenic MAPK signaling","Signaling by WNT in cancer","Cytosolic sensors of pathogen-associated DNA","Hedgehog 'on' state","Fc epsilon receptor (FCERI) signaling","Cell-extracellul
ar matrix interactions","G0 and Early G1","PI Metabolism","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","Parasite infection","G alpha (q) signalling events","EPH-Ephrin signalin
g","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Toll Like Receptor 2 (TLR2) Cascade","Drug
 resistance of KIT mutants","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Signaling by ROBO receptors","Ca2+ pathway","Potential therapeutics for SARS","Negative regulation of the PI
3K/AKT network","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional regulation by RUNX1","Signaling by FGFR4","Interleukin-1 family signaling","NS1 Mediated 
Effects on Host Pathways","Golgi Associated Vesicle Biogenesis","G2/M Transition","Toll Like Receptor 4 (TLR4) Cascade","Oxidative Stress Induced Senescence","Role of phospholipids in phagocytosis","P
PARA activates gene expression","Apoptotic cleavage of cellular proteins","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Signaling by FGFR3 in disease","Cas
pase activation via Dependence Receptors in the absence of ligand","Signaling by FLT3 ITD and TKD mutants","RET signaling","PTK6 promotes HIF1A stabilization","Sphingolipid de novo biosynthesis","PTEN
 Regulation",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer","Interleukin-2 family signaling","Signaling by FGFR2 in disease","Semaphorin interactions","Mito
tic Metaphase and Anaphase","G1 Phase","HIV Life Cycle","Cargo recognition for clathrin-mediated endocytosis","RHO GTPases activate PAKs","Major pathway of rRNA processing in the nucleolus and cytosol
","Antiviral mechanism by IFN-stimulated genes","Glycogen breakdown (glycogenolysis)","RAF/MAP kinase cascade","L1CAM interactions","G alpha (z) signalling events","Transcriptional Regulation by VENTX
","Signaling by RAS mutants","Signaling by AMER1 mutants","G alpha (i) signalling events","STING mediated induction of host immune responses","Interferon alpha/beta signaling","FCERI mediated Ca+2 mob
ilization","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Synthesis of PIPs at the Golgi membrane","FGFR1 mutant receptor activation","Synthesis of PIPs at the p
lasma membrane","Regulation of TP53 Activity","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHB-mediated forward signaling","MyD88 cascade initiated on plasma membrane
","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Toll Like 
Receptor TLR6:TLR2 Cascade","Dasatinib-resistant KIT mutants","Signalling to ERKs","Signalling to ERK5","The role of Nef in HIV-1 replication and disease pathogenesis","Activation of RAC1",PI5P,"PP2A 
and IER3 Regulate PI3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Role of ABL in ROBO-SLIT signaling",
"Negative regulation of FGFR4 signaling","Interleukin-1 signaling","Inhibition of PKR","Centrosome maturation","MyD88-independent TLR4 cascade","Activation of TRKA receptors","Imatinib-resistant PDGFR
 mutants","Post NMDA receptor activation events","Signaling by FGFR3 point mutants in cancer","STAT5 activation downstream of FLT3 ITD mutants","Regulation of PTEN stability and activity","Interleukin
 receptor SHC signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-15 signaling","FGFR2 mutant receptor activation","Sema4D in semaphorin signaling","Mitotic Anaphase","Cyclin D a
ssociated events in G1","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","ISG15 antiviral mechanism","Downstream signaling of activated FGFR4","RAS processing","Recycling pathway of
 L1","Signaling downstream of RAS mutants","Truncations of AMER1 destabilize the destruction complex","Visual phototransduction","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","IR
F3-mediated induction of type I IFN","Regulation of IFNA signaling","Assembly and cell surface presentation of NMDA receptors","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Express
ion and Degradation","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","MAP kinase activation","FCGR3A-mediated IL10 synthesis","PI3K Cascade","MyD88:MAL(TIRAP) cascade initiated on pla
sma membrane","Prolonged ERK activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","
Spry regulation of FGF signaling","Loss of proteins required for interphase microtubule organization from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Activity through Ac
etylation","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FGFR3 mutant receptor a
ctivation","Nef and signal transduction","Activated point mutants of FGFR2","Sema4D induced cell migration and growth-cone collapse","Separation of Sister Chromatids","Transcription of the HIV genome"
,"FRS-mediated FGFR4 signaling","The phototransduction cascade","Signalling to RAS","Signaling by activated point mutants of FGFR1","Activation of AMPK downstream of NMDARs","Regulation of TP53 Degrad
ation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-mediated activation","Nef Mediated CD4 Down-regulation","ARMS-mediated activation","activated TAK1 m
ediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","PI5P Regulates TP53 Acetylation","RSK activation","Signaling by acti
vated point mutants of FGFR3","Ras activation upon Ca2+ influx through NMDA receptor","HIV Transcription Elongation","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and r
egulation of the phototransduction cascade","p38MAPK events","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Activation of the AP-1 family of transcription factors","Formatio
n of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{MTOR,PASK}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{PP242,1092351-67-1,1092351671,TORKinib,PP-242,"PP 242","Torkinib (PP242)","2-(4-amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-ol","2(4amino1isopropyl1Hpyrazolo(3,4d)pyrimidin3yl)1Hin
dol5ol",UNII-H5669VNZ7V,UNIIH5669VNZ7V,H5669VNZ7V,CHEBI:90679,2-(4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo(3,2(4Amino1(Propan2Yl)1hPyrazolo(3,4-D)pyrimidin-3-Yl)-1h-Indol-5-O,4D)pyrimidin3Yl)1hIndol5O,T2414
,S2218,Torkinib}

> <pdid>
PD010820

> <targets>
{mTOR,Autophagy,Apoptosis,Mitophagy}

> <classes>
{PI3K/Akt/mTOR,Apoptosis,Autophagy}

> <pubchem_cids>
{135565635}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13449

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
NU7026

> <ctcr_id>
1942

> <supplier_cmpd_id>
T2433

> <smiles>
O=C1C=C(Oc2c1ccc3ccccc23)N4CCOCC4

> <pd_targets>
{RORC,PRKDC,MTOR,PIK3R1,PIK3CA}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor",Kinase,Transferase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase gro
up","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","1F. Retinoic acid-related orphans",Atypical,"Phosphatidylinositol kinases","Lipid modifying kinase
s","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Other PIKK family kinases","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,"RNA Polymerase II Transcription","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","
Generic Transcription Pathway","Cytosolic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Transcriptional regulation by RUNX3","STING mediated induction of host immune responses","
Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","RUNX3 Regulates Immune Response and Cell Migration","IRF3-mediated induction of type I IFN","Regulation of TP53 Activity","FGFR1 mu
tant receptor activation","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{PRKDC}

> <broad_moa>
{"DNA dependent protein kinase inhibitor","mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{DJ7RQT66H6,cc-674,cc674,154447-35-5,154447355,NU7026,"NU 7026",NU-7026,"DNA-PK Inhibitor II","DNAPK Inhibitor II",2-(Morpholin-4-yl)-benzo(h)chromen-4-one,2(Morpholin4yl)benzo(h)chromen4one,2-morphol
ino-4H-benzo(h)chromen-4-one,2morpholino4Hbenzo(h)chromen4one,2-morpholin-4-ylbenzo(h)chromen-4-one,2morpholin4ylbenzo(h)chromen4one,LY293646,2-(4-morpholinyl)-4H-naphtho(1,2(4morpholinyl)4Hnaphtho(1,
2-b)pyran-,2b)pyran,T2433,"EMD 260961",2828,260961}

> <pdid>
PD012539

> <targets>
{DNA-PK}

> <classes>
{}

> <pubchem_cids>
{9860529}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 N   0  0
    2.8629   -6.1484    0.0000 C   0  0
    4.1386   -6.9360    0.0000 N   0  0
    5.2822   -5.9653    0.0000 C   0  0
    4.7125   -4.5777    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  2  0
 18 10  1  0
  9 19  1  0
 19  2  1  0
 19  6  2  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13450

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
PP121

> <ctcr_id>
6342

> <supplier_cmpd_id>
T2415

> <smiles>
Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5

> <pd_targets>
{CSF1R,PIK3CD,PDGFRA,PIK3CB,ABL1,EPHB4,MARK3,JAK2,PAK4,PRKACA,PRKD3,BCR,DAPK3,MTOR,HCK,KDR,LTK,MAP2K2,MAPK14,ROCK2,FYN,LCK,MAP4K2,MST1R,PI4KB,PIK3CG,MAPK8,PIK3CA,EGFR,LIMK1,CDK5,ACVR1,CLK4,ATR,PDGFRB,
PRKDC,SRC,FLT1,GSK3A,MAP4K4,MAP4K5,ROCK1,IKBKE,ALK,IGF1R,MAP2K1,TYRO3,LRRK2,RET,BTK,TNK2,PTK2,PRKCQ,PRKAA1,FGFR1,CLK2,CSNK1A1,TAOK1,MAPK9,CDK8}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","Atypical protein kinase group","CMGC protein ki
nase group","TKL protein kinase group","Other protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Eph 
family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase JakA family","STE protein kinase STE20 family","AGC protein kinase PKA family","CAMK protein kinase PKD family","Atypical protein ki
nase BCR family","CAMK protein kinase DAPK family","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Alk family
","STE protein kinase STE7 family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGFR family","TKL protein kinase LIS
K family","CMGC protein kinase CDK family","TKL protein kinase STKR family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Tyrosine protein ki
nase Axl family","TKL protein kinase LRRK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Fak family","A
GC protein kinase PKC family","Tyrosine protein kinase FGFR family","CK1 protein kinase CK1 family","CAMK protein kinase MARK subfamily","STE protein kinase PAKB subfamily","Atypical protein kinase FR
AP subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase KHS subfamily","CMGC protein kinase JNK subfamily","TKL protein
 kinase LIMK subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase STKR1","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase PKC delta subf
amily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","Lipid modifying kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","St
erile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","TK: Tyrosine kinase",Phosphatidylinositol-4,"5-
bisphosphate 3-kinase family","CAMK-like (CAMKL) family","STE20 family","Protein kinase A (PKA) family","Protein kinase D (PKD) family","Death-associated kinase (DAPK) family","Phosphatidyl inositol 3
' kinase-related kinases (PIKK) family","STE7 family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","1-phosphatidylinositol 4-kinase family","TKL: Tyrosine kinase-like","Cyclin-depen
dent kinase (CDK) family","CLK family","Glycogen synthase kinase (GSK) family","Other protein kinases","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Receptor tyrosine kinases (RTKs)"
,"Non-receptor tyrosine kinases (nRTKs)","MARK subfamily","PAKB subfamily","FRAP subfamily","p38 subfamily","Rho kinase","KHS subfamily","JNK subfamily","LIM domain kinase (LISK) family","CDK5 subfami
ly","Receptor serine/threonine kinase (RSTK) family","ATR subfamily","Other PIKK family kinases","GSK subfamily","MSN subfamily","IKK family","Leucine-rich repeat kinase (LRRK) family","Delta subfamil
y","AMPK subfamily","TAO subfamily","CDK8 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type XIII RTKs: Ephrin receptor family","Janus kinase (JakA) family","Src fami
ly","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor fam
ily","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Type I receptor serine/threonine kinases","Type II RTKs: Insulin receptor family","Type XI RTKs: TAM (TYRO3-","AXL-
 and MER-TK) receptor family","Type XIV RTKs: RET","Tec family","Ack family","Fak family","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,"Signal Transduction","Developmental Biology","Cell Cycle",Metabolism,"Programmed Cell Death","DNA Repair","Cellular responses to external st
imuli","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinase
s","Infectious disease","Nervous system development",Mitotic,"Metabolism of lipids",Apoptosis,"Innate Immune System","Signaling by GPCR","DNA Double-Strand Break Repair","Intracellular signaling by se
cond messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Interleukins","Signaling by PDGFR in disease","Signaling by I
nsulin receptor","Leishmania infection","Axon guidance","Oncogenic MAPK signaling","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Sphingolipid metabolism","Caspase activation via ext
rinsic apoptotic signalling pathway","HIV Infection","Signaling by VEGF","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by MST1","Phospholipid metabolism","Signaling by FGFR in disease"
,"GPCR downstream signalling","Homology Directed Repair","PIP3 activates AKT signaling","Cytosolic sensors of pathogen-associated DNA","SARS-CoV Infections","Cellular Senescence","Signaling by Type 1 
Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by PTK6","Signaling by WNT in cancer","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional Regulation by VENTX",Interleukin-3,"Interleuk
in-5 and GM-CSF signaling","Drug resistance of PDGFR mutants","Insulin receptor signalling cascade","Parasite infection","EPH-Ephrin signaling","Signaling by RAS mutants","G1 Phase","Signaling by ROBO
 receptors","G2/M Transition","Sphingolipid de novo biosynthesis","Caspase activation via Dependence Receptors in the absence of ligand","Transcriptional Regulation by TP53","Host Interactions of HIV 
factors","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","PI Metabolism","Signaling by FGFR1 in disease","G alpha (q) signalling even
ts","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Negative regulation of the PI3K/AKT network","STING mediated induction of host immune responses","VEGF ligand-recepto
r interactions","SARS-CoV-1 Infection","Oxidative Stress Induced Senescence","Toll Like Receptor 4 (TLR4) Cascade","IGF1R signaling cascade","PTK6 promotes HIF1A stabilization","RET signaling","G alph
a (i) signalling events","Signaling by AMER1 mutants","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Interleukin receptor SHC signaling","Imatinib-resistant P
DGFR mutants","IRS-mediated signalling","Leishmania phagocytosis","EPHB-mediated forward signaling","Signaling downstream of RAS mutants","Cyclin D associated events in G1","Activation of RAC1","Centr
osome maturation","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","VEGFR2 mediated cell proliferation","Signalling to ERKs","MyD88 cascade initiated on pl
asma membrane","Sema4D in semaphorin signaling","Synthesis of PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Gastrin-CREB signalling pathway
 via PKC and MAPK","HDR through Homologous Recombination (HRR)",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","IRF3-mediated induction of type I IFN","VEGF binds to VEGFR leading to receptor dimeri
zation","SARS-CoV-1 Genome Replication and Transcription","MyD88-independent TLR4 cascade","IRS-related events triggered by IGF1R","Visual phototransduction","Truncations of AMER1 destabilize the dest
ruction complex","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","PI3K Cascade","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organi
zation from the centrosome","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Prolonged ERK activation events","MAP kinase activation","Sema4D induced cell migration and g
rowth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by cytosolic FGFR1 fusion mutants","EGFR Transactivation by Gastrin","R
egulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","Signalling to RAS","Replication of the SARS-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","The 
phototransduction cascade","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","Frs2-mediated acti
vation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Presynaptic phase of homologous DNA pairing and strand exchange","p38MAPK events","Activation of IRF3
/IRF7 mediated by TBK1/IKK epsilon",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,EGFR,HCK,KDR,MTOR,PDGFRA,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,SRC}

> <broad_moa>
{"protein tyrosine kinase inhibitor"}

> <synonyms>
{PP121,1092788-83-4,1092788834,PP-121,"PP 121",CHEMBL1081312,UNII-5B9VB06146,UNII5B9VB06146,CHEBI:50915,5B9VB06146,KS1,Kinome_2001,Kinome2001,Kinome-2001,"Kinome 2001",B2172,cc-496,cc496,MLS006010957,
pp121/pp-121,pp121/pp121,GTPL8013,SCHEMBL12265009,AOB4424,DTXSID00648002,HMS3656D05,BCP02256,C17H17N7,EX-A2139,EXA2139,ABP000938,BDBM503136,T2415,S2622,Pp121}

> <pdid>
PD005215

> <targets>
{DNA-PK,mTOR,PDGF,"PI3K AND TKI",Apoptosis,PDGFR,Src,VEGFR}

> <classes>
{Apoptosis,PI3K/Akt/mTOR,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{24905142}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 C   0  0
    2.5875   -5.9994    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8959    3.7529    0.0000 C   0  0
   -3.8936    5.2529    0.0000 C   0  0
   -2.5933    6.0009    0.0000 O   0  0
   -1.2955    5.2488    0.0000 C   0  0
   -1.2979    3.7488    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0  2  0  0  0
   -6.5019   -5.2484    0.0000 C   0  0
   -7.7973   -2.9963    0.0000 O   0  0
   -7.7950   -1.4963    0.0000 C   0  0  2  0  0  0
   -9.0928   -0.7443    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 26  1  0
 15 34  2  0
 34 11  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13451

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
KU0063794

> <ctcr_id>
7122

> <supplier_cmpd_id>
T2475

> <smiles>
COc1ccc(cc1CO)c2ccc3c(nc(nc3N4CCOCC4)N5C[C@H](C)O[C@H](C)C5)n2

> <pd_targets>
{KCNH2,MTOR,PIK3CD,PIK3CA,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Kinase,Transferase,"Potassium channels","Protein Kinase","Voltage-gated potassium channel","Atypical protein kinase group","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Potassium channels",Atypical,"Lipid modifying kinases","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Gene expression (Transcription)","Immune System",Disease,"Cardiac conduction","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transdu
ction by growth factor receptors and second messengers","Phase 3 - rapid repolarisation","Generic Transcription Pathway","Signaling by Interleukins","Signaling by FGFR in disease","Transcriptional Reg
ulation by TP53",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","Regulation of TP53 Activity","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation
","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{U006379,Ku-0063794,Ku0063794,938440-64-3,938440643,KU0063794,"KU 0063794",KU-63794,KU63794,UNII-81HJG228AB,UNII81HJG228AB,"Ku 63794",81HJG228AB,CHEMBL1078983,CHEBI:85572,C25H31N5O4,Ku63794,PubChem224
75,cc-34,cc34,MLS006011007,SCHEMBL290211,GTPL9360,AMY2729,AOB3533,DTXSID50239782,EX-A045,EXA045,SYN1050,ACT0,S1226,KU-0063794}

> <pdid>
PD003367

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{16736978}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 N   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -2.5939   -6.0054    0.0000 C   0  0
   -2.5893   -7.5054    0.0000 C   0  0
   -3.8859   -8.2595    0.0000 N   0  0
   -5.1873   -7.5137    0.0000 C   0  0
   -5.1921   -6.0137    0.0000 C   0  0
   -3.8955   -5.2596    0.0000 C   0  0
   -3.9003   -3.7587    0.0000 C   0  0
   -5.2013   -3.0121    0.0000 F   0  0
   -2.6034   -3.0050    0.0000 F   0  0
   -3.9044   -2.2587    0.0000 F   0  0
   -6.4840   -8.2678    0.0000 N   0  0
    0.0048   -6.0009    0.0000 N   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 N   0  0
    2.6035   -5.9971    0.0000 N   0  0
    2.6084   -7.4972    0.0000 C   0  0
    3.9098   -8.2430    0.0000 C   0  0
    5.2064   -7.4889    0.0000 O   0  0
    5.2017   -5.9889    0.0000 C   0  0
    3.9002   -5.2430    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
  9 21  2  0
 21 22  1  0
 22 23  2  0
 23  7  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13452

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
PI3K-IN-2

> <ctcr_id>
12869

> <supplier_cmpd_id>
T2265

> <smiles>
C1COCCN1c1nc(c2cnc(cc2C(F)(F)F)N)nc(n1)N1CCOCC1

> <pd_targets>
{PI4KB,PIK3C2B,MTOR,PIK3C3,PIK3CD,PIK3CG,PIK3CA,PIK3CB,PRKDC,PIK3R1,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"1-phosphatidylinositol 4-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related 
kinases (PIKK) family","Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Signal Transduction","Immune System",Disease,"Metabolism of lipids","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Cytokine 
Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Phospholipid metabolism","Generic Transcription Pathway","Signali
ng by Insulin receptor","Signaling by Interleukins","Signaling by FGFR in disease","Cytosolic sensors of pathogen-associated DNA","PI Metabolism","Transcriptional Regulation by TP53","Insulin receptor
 signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","STING mediated induction of host immune responses","Synthesis of PIPs at the Golgi membrane","S
ynthesis of PIPs at the plasma membrane","Regulation of TP53 Activity","IRS-mediated signalling","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation","IRF3-mediated induction of typ
e I IFN","Regulation of TP53 Expression and Degradation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{I3KIN,Bimiralisib,PQR309,1225037-39-7,1225037397,PI3K-IN-2,PI3KIN2,PQR-309,"Bimiralisib free base","5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine","5(4,6dimorpholino1,3,5
triazin2yl)4(trifluoromethyl)pyridin2amine",NCB5,UNII-6Z3QHB00LB,UNII6Z3QHB00LB,6Z3QHB00LB,CHEMBL4084907,"1225037-39-7 (free base)","1225037397 (free base)","Bimiralisib (PQR309)",T2265}

> <pdid>
PD049358

> <targets>
{pPKB,pS6}

> <classes>
{Others,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{58507717}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
   -2.1571   -9.0669    0.0000 O   0  0
   -3.5959   -8.6430    0.0000 C   0  0
   -4.6824   -9.6772    0.0000 C   0  0
   -6.1213   -9.2533    0.0000 C   0  0
   -6.4737   -7.7953    0.0000 C   0  0
   -5.3872   -6.7611    0.0000 C   0  0
   -3.9482   -7.1849    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 24 14  1  0
 24 17  2  0
 21 25  1  0
 25 26  3  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13453

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
A 769662

> <ctcr_id>
6722

> <supplier_cmpd_id>
T2468

> <smiles>
Oc1ccccc1c2ccc(cc2)c3csc4NC(=O)C(=C(O)c34)C#N

> <pd_targets>
{PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","AMPK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{76966,844499-71-4,844499714,A-769662,A769662,"A 769662",UNII-P68477CD2C,UNIIP68477CD2C,CHEMBL512504,C20H12N2O3S,P68477CD2C,4cff,PubChem16661,cc-24,cc24,MLS006011221,SCHEMBL2669403,SCHEMBL15008545,CHE
BI:91429,GTPL10069,AOB1779,DTXSID30233425,EX-A380,EXA380,BCPP000450,HMS3295O03,HMS3413J08,T2468,S2697}

> <pdid>
PD010881

> <targets>
{AMPK,"AMPK agonist"}

> <classes>
{}

> <pubchem_cids>
{54708532}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    8.8671    7.0482    0.0000 N   0  0
    7.4093    6.6952    0.0000 C   0  0
    6.9849    5.2556    0.0000 C   0  0
    8.0193    4.1692    0.0000 O   0  0
    5.5263    4.9023    0.0000 N   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2996   -4.8254    0.0000 F   0  0
    3.9242   -5.8772    0.0000 F   0  0
    5.4155   -6.0369    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 24  1  0
 21 30  2  0
 30 17  1  0
 14 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13454

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
Osu-03012

> <ctcr_id>
5641

> <supplier_cmpd_id>
T2466

> <smiles>
NCC(=O)Nc1ccc(cc1)n2nc(cc2c3ccc4c(ccc5ccccc45)c3)C(F)(F)F

> <pd_targets>
{PDPK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase PDK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","PDK1 family"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{PDPK1}

> <broad_moa>
{"phosphoinositide dependent kinase inhibitor"}

> <synonyms>
{"SU03012 (AR12",OSU-03012,OSU03012,742112-33-0,742112330,AR-12,AR12,"OSU 03012","OSU-03012 (AR-12)","OSU03012 (AR12)","PDK1 inhibitor AR-12","PDK1 inhibitor AR12",UNII-EX3O2Q61UV,UNIIEX3O2Q61UV,"AR 1
2",EX3O2Q61UV,CHEMBL1650595,"742112-33-0 (free base)","742112330 (free base)","AR-12 (OSU-03012)","AR12 (OSU03012)",PubChem22592,MLS006010170,SCHEMBL570472,GTPL8005,T2466,S1106,Osu-03012}

> <pdid>
PD011134

> <targets>
{PDK-1}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10027278}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
   -6.4939    0.7411    0.0000 C   0  0
   -7.7955    1.4868    0.0000 O   0  0
   -6.4894   -0.7597    0.0000 N   0  0
   -7.7864   -1.5148    0.0000 C   0  0
   -7.7841   -3.0149    0.0000 C   0  0
   -9.0819   -3.7670    0.0000 C   0  0
  -10.3821   -3.0191    0.0000 C   0  0
  -10.3846   -1.5191    0.0000 C   0  0
   -9.0867   -0.7670    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13455

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
VE-821

> <ctcr_id>
2601

> <supplier_cmpd_id>
T3032

> <smiles>
CS(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3

> <pd_targets>
{PRKDC,ATR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases","ATR subfamily"}

> <pathway_reactome>
{"Immune System","DNA Repair","Innate Immune System","DNA Double-Strand Break Repair","Cytosolic sensors of pathogen-associated DNA","Homology Directed Repair","STING mediated induction of host immune
 responses","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","IRF3-mediated induction of type I IFN","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing a
nd Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATR}

> <broad_moa>
{"ATR kinase inhibitor"}

> <synonyms>
{VE-821,VE821,1232410-49-9,1232410499,3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide,3Amino6(4(methylsulfonyl)phenyl)Nphenylpyrazine2carboxamide,"VE 821",3-Amino-6-(4-(methylsulfo
nyl)phenyl)-N-phenyl-2-pyrazinecarboxamide,3Amino6(4(methylsulfonyl)phenyl)Nphenyl2pyrazinecarboxamide,CHEMBL1766779,3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamid,3amino6(4methylsul
fonylphenyl)Nphenylpyrazine2carboxamid,T3032,S8007}

> <pdid>
PD003276

> <targets>
{ATM/ATR}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{51000408}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    2.5988   -1.5004    0.0000 C   0  0  2  0  0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
    3.8990   -0.7508    0.0000 C   0  0
    5.1976   -1.5016    0.0000 C   0  0
    6.4971   -0.7525    0.0000 C   0  0
    6.4980    0.7475    0.0000 C   0  0
    5.1995    1.4984    0.0000 C   0  0
    3.9000    0.7492    0.0000 C   0  0
    7.7982    1.4971    0.0000 C   0  0
    9.1502    0.8774    0.0000 C   0  0
   10.1528    1.9930    0.0000 N   0  0
    9.4016    3.2914    0.0000 N   0  0
    7.9347    2.9781    0.0000 C   0  0
    1.2718   -2.2619    0.0000 C   0  0
    1.2670   -3.7619    0.0000 N   0  0
  1  2  1  6
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  1 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 16  2  0
  1 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13456

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
AT13148

> <ctcr_id>
11741

> <supplier_cmpd_id>
T2482

> <smiles>
[C@](O)(c1ccc(cc1)Cl)(c1ccc(cc1)c1cn[nH]c1)CN

> <pd_targets>
{AKT3,AKT1,AKT2,RPS6KA1,RPS6KA2,RPS6KA3,RPS6KA4,RPS6KA5,RPS6KA6,RPS6KB1,RPS6KB2,MAPKAPK2,ROCK1,ROCK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CAMK protein kinase group","AGC protein kinase AKT family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein
 kinase DMPK family","AGC protein kinase MSK subfamily","CAMK protein kinase MAPKAPK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Akt (Protein kinase B","PKB) family","MAPK-Activated Protein Kinase (MAPK
APK) family","MAPKAPK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Immune System","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Generic Transcription Pathwa
y","Signaling by Insulin receptor","Toll-like Receptor Cascades","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cascade","Regulation of TP53 Ac
tivity","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Expression and Degradation","PI3K Cascade","MAP kinase activation","Regulation of TP53 Degradation","
PKB-mediated events","MAPK targets/ Nuclear events mediated by MAP kinases","PDE3B signalling","CREB phosphorylation"}

> <broad_targets>
{AKT1,AKT2,AKT3,ROCK1,ROCK2,SGK3}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{AT13148,1056901-62-2,1056901622,AT-13148,UNII-A49037RP1E,UNIIA49037RP1E,(S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol,(S)1(4(1HPyrazol4yl)phenyl)2amino1(4chlorophenyl)ethanol,A4
9037RP1E,(1S)-2-amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol,(1S)2amino1(4chlorophenyl)1(4(1Hpyrazol4yl)phenyl)ethanol,SCHEMBL851471,CHEMBL3544960,BCP08961,EX-A1797,EXA1797,2231AH,T24
82}

> <pdid>
PD021580

> <targets>
{Akt,"S6 Kinase",ROCK,PKA,Akt1,Akt2,Akt3,ROCK1,ROCK2,"p70 S6K",RSK1,SGK3,"Ribosomal S6 Kinase (RSK)"}

> <classes>
{Cytoskeletal Signaling,Cell Cycle/Checkpoint,GPCR/G Protein,Metabolism,PI3K/Akt/mTOR signaling,Stem Cells,Cell Cycle/DNA Damage,Cytoskeleton,MAPK/ERK Pathway,PI3K/Akt/mTOR,Protein Tyrosine Kinase/RTK
,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{24905401}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.1517    0.8676    0.0000 S   0  0
  -10.1554    1.9823    0.0000 C   0  0
   -9.4054    3.2814    0.0000 C   0  0
   -7.9382    2.9695    0.0000 N   0  0
  -11.6458    1.8288    0.0000 N   0  3
  -12.2583    0.4596    0.0000 O   0  5
  -12.5257    3.0436    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13457

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
AR-A014418

> <ctcr_id>
3645

> <supplier_cmpd_id>
T1881

> <smiles>
COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1

> <pd_targets>
{AURKB,GSK3B,CDK2,CDK5,GSK3A,ATG4B,RPS6KB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","CMGC protein kinase group","AGC protein kinase group","Other protein kinase AUR family","CMGC protein kinase GSK family","CMGC protein kin
ase CDK family","AGC protein kinase RSK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","AGC: Cont
aining PKA",PKG,"PKC families","Other protein kinases","Glycogen synthase kinase (GSK) family","Cyclin-dependent kinase (CDK) family","C54: Aut2 peptidase","RSK family","Aurora kinase (Aur) family","G
SK subfamily","CDK1 subfamily","CDK5 subfamily","p70 subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Gene expression (Transcription)",Autophagy,"Signal Transduction",Mitotic,"Infectious disease","RNA Polymerase II Transcription",Macroautophagy,"MTOR signalling","M Phase","SARS-
CoV Infections","Generic Transcription Pathway","mTORC1-mediated signalling","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","Mitotic Anaphase","SARS-CoV-1
 Genome Replication and Transcription","Regulation of TP53 Activity","Separation of Sister Chromatids","Replication of the SARS-CoV-1 genome","Regulation of TP53 Expression and Degradation","Regulatio
n of TP53 Activity through Phosphorylation","Regulation of TP53 Degradation"}

> <broad_targets>
{GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{"SK3?? INHIBITOR VII",AR-A014418,ARA014418,487021-52-3,487021523,"GSK-3beta Inhibitor VIII","GSK3beta Inhibitor VIII","N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA","N(4METHOXYBENZYL)N'(5NIT
RO1,3THIAZOL2YL)UREA",1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea,1(4methoxybenzyl)3(5nitrothiazol2yl)urea,"1-((4-methoxyphenyl)methyl)-3-(5-nitro-1,3-thiazol-2-yl)urea","1((4methoxyphenyl)methyl)
3(5nitro1,3thiazol2yl)urea",AR-AO-14418,ARAO14418,T1881,"EMD 361549",S7435,361549,"AR-A 014418"}

> <pdid>
PD008274

> <targets>
{GSK-3}

> <classes>
{}

> <pubchem_cids>
{448014}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 N   0  0
    2.5868   -5.9998    0.0000 S   0  0
    1.2903   -5.2455    0.0000 O   0  0
    2.5916   -4.4998    0.0000 O   0  0
    2.5814   -7.5006    0.0000 C   0  0
    3.8777   -8.2554    0.0000 C   0  0
    3.8722   -9.7553    0.0000 C   0  0
    2.5704  -10.5006    0.0000 C   0  0
    2.5650  -12.0006    0.0000 F   0  0
    1.2741   -9.7459    0.0000 C   0  0
    1.2796   -8.2459    0.0000 C   0  0
   -0.0167   -7.4912    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 N   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  6 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 28 35  1  0
 35 24  1  0
 35 36  2  0
 36 21  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13458

> <plate>
PLATE 002

> <well>
A8

> <supplier_cmpd_name>
Omipalisib

> <ctcr_id>
4432

> <supplier_cmpd_id>
T1861

> <smiles>
COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3

> <pd_targets>
{PIK3CG,PIK3CD,PIK3CB,PIK3CA,MTOR,PIK3R1,MLST8,RPTOR,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfami
ly"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction",Disease,"Gene expression (Transcription)","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Disea
ses of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Phospholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Si
gnaling by FGFR in disease","Generic Transcription Pathway","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","Tr
anscriptional Regulation by TP53","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRS-mediated signalling","FGFR1 mutant receptor activation","Regulation of TP53 Activ
ity","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{"SK2126458 (HYR582",GSK-212,GSK212,"Omipalisib (USAN:INN)","GSK 212",PubChem22430,"Omipalisib (USAN/INN)",cc-65,cc65,MLS006011258,"Omipalisib; GSK2126458",SCHEMBL623194,GTPL8974,CHEMBL1236962,CHEBI:9
5093,DTXSID10148604,EX-A003,EXA003,GSK-458,GSK458,SYN1126,3l08,HMS3656D09,AOB87,T1861,SY-GSK2126458,S2658,Omipalisib,"GSK2126458  (HYR-582)","GSK2126458 (GSK458)"}

> <pdid>
PD010901

> <targets>
{PI3K,mTOR,Autophagy}

> <classes>
{PI3K/Akt/mTOR,Autophagy}

> <pubchem_cids>
{25167777}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 C   0  0
    2.5875   -5.9994    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -6.4924   -3.7525    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 O   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -6.4996    0.7475    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -2.6029    6.0009    0.0000 O   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0
    0.0000    3.0050    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 11  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  0
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13459

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
AZD8055

> <ctcr_id>
4959

> <supplier_cmpd_id>
T1859

> <smiles>
COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOCC4C)N5CCOCC5C

> <pd_targets>
{PIK3CA,MTOR,PIK3R1,MAPKAP1,MLST8,RICTOR,RPTOR,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Lipid modifying kinases",Atypical,"Potassium channels",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidy
l inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Muscle contraction","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Cardiac conduction
","Signaling by FGFR in disease","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation
","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{SCHEMBL1219191,CHEMBL2140640,HMS3265A15,HMS3265A16,HMS3265B15,HMS3265B16,HMS3655K03,HMS3744M21,AKOS026750238,NCGC00389372-02,NCGC0038937202,AK109550,LS-15122,LS15122,FT-0660381,FT0660381,S1555,AZD805
5}

> <pdid>
PD003359

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{44200436}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9100    8.2496    0.0000 N   0  0
   -3.9100    9.7496    0.0000 C   0  0
   -2.6110   10.4997    0.0000 C   0  0
   -2.6111   12.0004    0.0000 N   0  0
   -3.8232   12.8622    0.0000 C   0  0
   -3.3575   14.2880    0.0000 C   0  0
   -1.8575   14.2857    0.0000 N   0  0
   -1.3962   12.8584    0.0000 C   0  0
   -1.3119    9.7497    0.0000 C   0  0
   -1.3119    8.2497    0.0000 N   0  0
   -0.0123   10.5001    0.0000 C   0  0
    1.2857    9.7482    0.0000 C   0  0
    2.5859   10.4961    0.0000 C   0  0
    2.5882   11.9961    0.0000 C   0  0
    3.8884   12.7441    0.0000 Cl  0  0
    1.2904   12.7482    0.0000 C   0  0
   -0.0099   12.0002    0.0000 C   0  0
   -0.8751   12.5016    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  3
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 12 18  1  0
 18 19  2  0
 19  9  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
  4 28  2  0
 28 29  1  0
 29 30  2  0
 30  2  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  CHG  2  31   1  32  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13460

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
CHIR-98014

> <ctcr_id>
5756

> <supplier_cmpd_id>
T2608

> <smiles>
Nc1nc(NCCNc2ncc(n3ccnc3)c(n2)c4ccc(Cl)cc4Cl)ccc1[N+]([O-])=O

> <pd_targets>
{CDK1,GSK3B,GSK3A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase GSK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Cyclin-dependent kinase (CDK) family","Glycogen synthase kinase (GSK) family","CDK1 subfamily","GSK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","Regulation of mitotic cell cycle","SARS-CoV Infections","APC/C-mediated degradation of cell cycle proteins","SARS-CoV-1 Infection","Activation of AP
C/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SARS-CoV-1 Genome Replication and Transcription","APC/C:Cdc20 mediated degradation of mitotic proteins","Replication of the SARS-CoV-1 ge
nome","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{GSK3A,GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{HIR9801,CHIR-98014,CHIR98014,252935-94-7,252935947,CT-98014,CT98014,CHEMBL3185148,cc-83,cc83,GTPL8016,"Chir98014, 20",SCHEMBL14672557,BDBM92356,AOB6865,DTXSID50694251,CHEBI:167657,BCP01900,EX-A1079,E
XA1079,BDBM50243389,MFCD10565922,s2745,ZINC42856088,AKOS015994559,BCP9000519,CCG-269591,CCG269591,CS-312,CS312,T2608,S2745,"CHIR 98014"}

> <pdid>
PD012780

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{53396311}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.1832    3.7527    0.0000 C   0  0
    3.1875    2.6385    0.0000 S   0  0
    4.6544    2.9516    0.0000 O   0  0
    3.6500    4.0654    0.0000 O   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 N   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 N   0  0
    1.3026   -5.2488    0.0000 N   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  5  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 11 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13461

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
CH5132799

> <ctcr_id>
2106

> <supplier_cmpd_id>
T2619

> <smiles>
CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4

> <pd_targets>
{PIK3CG,PIK3CA,PIK3CD,PIK3C2B,MTOR,PIK3CB,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' 
kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Immune System","Gene expression (Transcription)","Signal Transduction","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","C
ytokine Signaling in Immune system","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Phospholipid metabolism","Signaling by FGFR in disease","Signaling by Interleukins","Gen
eric Transcription Pathway","Signaling by Insulin receptor","PI Metabolism","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Regulation by TP53","Ins
ulin receptor signalling cascade","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","Regulation of TP53 Activity","IRS-mediated signall
ing","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{CH5132799,1007207-67-1,1007207671,CH-5132799,"CH 5132799",UNII-JCL936W835,UNIIJCL936W835,CHEMBL1684984,JCL936W835,"CH5132799 (PA-799)","CH5132799 (PA799)",C15H19N7O3S,cc-614,cc614,MLS006010989,GTPL77
43,QCR-47,QCR47,SCHEMBL2377154,DTXSID40678540,EX-A997,EXA997,MEN1611,SYN1146,HMS3656H15,HMS3750I19,PA799,AOB87718,B,T2619,S2699}

> <pdid>
PD010879

> <targets>
{PI3K,mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{49784945}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    3.9068   -5.2448    0.0000 C   0  0
    3.9047   -3.7448    0.0000 N   0  0
    5.2029   -2.9917    0.0000 C   0  0
    6.5032   -3.7395    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7988   -1.4819    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.3262    3.2720    0.0000 N   0  0
   -6.2121    4.4824    0.0000 C   0  0
   -5.3346    5.6990    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0136    6.0070    0.0000 O   0  0
   -0.0210    7.5070    0.0000 C   0  0
   -5.7870    1.8463    0.0000 C   0  0
   -4.7811    0.7335    0.0000 O   0  0
   -7.2543    1.5310    0.0000 C   0  0
   -7.7158    0.1029    0.0000 N   0  0
   -9.1823   -0.2122    0.0000 C   0  0
   -6.7100   -1.0099    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 26  1  0
 26 27  1  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 15 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 13  1  0
 39 35  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13462

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
GSK1838705A

> <ctcr_id>
6349

> <supplier_cmpd_id>
T3079

> <smiles>
CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25

> <pd_targets>
{STK33,DYRK1A,PTK2B,MYLK,MAPK8,MAPK10,PHKG2,CAMK4,PRKD1,JAK2,RPS6KA1,CLK1,RPS6KA2,ERBB4,AXL,CSNK1E,INSR,DCLK1,HIPK3,PHKG1,MAP3K19,HIPK1,OXSR1,EGFR,FLT3,PLK1,RIOK2,TAOK1,MAP2K4,CLK2,HIPK2,LRRK2,CLK4,PT
K2,IGF1R,STK16,TSSK1B,ALK,CHEK2,IRAK1,ROS1,GRK7,HIPK4,PRKD3,CSNK2A1,TAOK3,MAP2K3,INSRR,FES,GRK1,MAP3K7,LTK,DYRK1B,DAPK2,TNK1,RPS6KA3,MERTK,TTK,RPS6KA6,GAK,DSTYK,DAPK3,CSNK1D,DAPK1,JAK3,FER,MAPK9}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","TK protein kinase group","AGC protein kinase group","CK1 protein kinase group","STE protein kinase group","Othe
r protein kinase group","Atypical protein kinase group","TKL protein kinase group","CAMK protein kinase unique family","CMGC protein kinase DYRK family","Tyrosine protein kinase Fak family","CAMK prot
ein kinase MLCK family","CMGC protein kinase MAPK family","CAMK protein kinase PHk family","CAMK protein kinase CAMK1 family","CAMK protein kinase PKD family","Tyrosine protein kinase JakA family","AG
C protein kinase RSK family","CMGC protein kinase CLK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Axl family","CK1 protein kinase CK1 family","Tyrosine protein kinase InsR f
amily","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","STE protein kinase STE20 family","Tyrosine protein kinase PDGFR family","Other protein kinase PLK family","Atypical protei
n kinase RIO family","STE protein kinase STE7 family","TKL protein kinase LRRK family","Other protein kinase NAK family","CAMK protein kinase TSSK family","TKL protein kinase STKR family","CAMK protei
n kinase RAD53 family","TKL protein kinase IRAK family","Tyrosine protein kinase Sev family","AGC protein kinase GRK family","Other protein kinase CK2 family","Tyrosine protein kinase Fer family","TKL
 protein kinase MLK family","Tyrosine protein kinase Alk family","CAMK protein kinase DAPK family","Tyrosine protein kinase Ack family","Other protein kinase TTK family","CMGC protein kinase Dyrk1 sub
family","CMGC protein kinase JNK subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase FRAY subfamily","Atypical protein kinase RIO2 subfamily","STE pr
otein kinase TAO subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase GRK subfamily","TKL protein kinase TAK1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing
 PKA",PKG,"PKC families","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphorylation regula
ted kinase (DYRK) family","TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","CAMK1 family","Protein 
kinase D (PKD) family","RSK family","CLK family","Casein kinase 1 (CK1) family","DCAMKL family","STE20 family","Other protein kinases","RIO family","STE7 family","TKL: Tyrosine kinase-like","Testis sp
ecific kinase (TSSK) family","CAMK-like (CAMKL) family","G protein-coupled receptor kinases (GRKs)","Death-associated kinase (DAPK) family","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","J
NK subfamily","RSK subfamily","Receptor tyrosine kinases (RTKs)","HIPK subfamily","STE20 subfamily","FRAY subfamily","Polo-like kinase (PLK) family","RIO2 subfamily","TAO subfamily","Leucine-rich repe
at kinase (LRRK) family","NAK family","CHK1 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Opsin/rhodopsin kinases","Casein kinase 2 (CK2) family","Mixed Lineage Kinase (MLK) fam
ily","TTK family","Numb-associated kinase (NAK) family","Other-unique family","Fak family","Janus kinase (JakA) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XI RTKs: TAM
 (TYRO3-","AXL- and MER-TK) receptor family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor fam
ily","Type XVII RTKs: ROS receptors","Fer family","TAK1 subfamily","Ack family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Metabolism,Disease,"Neuronal System","Gene expression (Transcription)","Metabolism of RNA","Developmental Biology","Programmed Cell Death",Hemostasi
s,"Vesicle-mediated transport",Mitotic,"Cytokine Signaling in Immune system","Signaling by Rho GTPases","Innate Immune System","Metabolism of carbohydrates","Disorders of Developmental Biology","Metab
olism of lipids","Transmission across Chemical Synapses","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Signaling by GPCR","
rRNA processing","Signaling by Non-Receptor Tyrosine Kinases","Infectious disease","Nervous system development",Apoptosis,"Cell surface interactions at the vascular wall","Membrane Trafficking","Mitot
ic G1 phase and G1/S transition","Signaling by Interleukins","RHO GTPase Effectors","Toll-like Receptor Cascades","Glycogen metabolism","Disorders of Nervous System Development","Sphingolipid metaboli
sm","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by VEGF","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Generic Transcription Pathway","GPCR downstream signa
lling","Signaling by Insulin receptor","rRNA processing in the nucleus and cytosol","M Phase","Signaling by PTK6","Leishmania infection","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF
1R)","Axon guidance","Caspase activation via extrinsic apoptotic signalling pathway","trans-Golgi Network Vesicle Budding","Signaling by SCF-KIT","G0 and Early G1","Interleukin-2 family signaling","RH
O GTPases activate PAKs","Toll Like Receptor 5 (TLR5) Cascade","Glycogen breakdown (glycogenolysis)","Pervasive developmental disorders","Sphingolipid de novo biosynthesis","G1 Phase","Activation of N
MDA receptors and postsynaptic events","VEGFA-VEGFR2 Pathway","G2/M Transition","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by TP53","G alpha (q) signalling events","Insu
lin receptor signalling cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","PTK6 promotes HIF1A stabilization","Parasite infection","IGF1R signal
ing cascade","G alpha (i) signalling events","Semaphorin interactions","Toll Like Receptor 4 (TLR4) Cascade","Caspase activation via Dependence Receptors in the absence of ligand","Golgi Associated Ve
sicle Biogenesis","Interleukin-2 signaling","MyD88 cascade initiated on plasma membrane","Loss of function of MECP2 in Rett syndrome","Cyclin D associated events in G1","Post NMDA receptor activation 
events","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of TP53 Activity","Gastrin-CREB signalling pathway via PKC and MAPK","IRS-mediated signalling","Mitotic Ana
phase","Leishmania phagocytosis","IRS-related events triggered by IGF1R","Visual phototransduction","CRMPs in Sema3A signaling","MyD88-independent TLR4 cascade","Interleukin-15 signaling","MAP kinase 
activation","Loss of phosphorylation of MECP2 at T308","Long-term potentiation","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity thr
ough Phosphorylation","EGFR Transactivation by Gastrin","PI3K Cascade","Separation of Sister Chromatids","FCGR3A-mediated phagocytosis","Regulation of TP53 Expression and Degradation","The phototransd
uction cascade","TRIF(TICAM1)-mediated TLR4 signaling","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAPK targets/ Nuclear events mediated by MAP kinases","Loss o
f Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Regulation of TP53 Degradation","activated TAK1 mediates p38 MAPK activation",In
activation,"recovery and regulation of the phototransduction cascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","RSK activation","Activation of the AP-1 family of transcription fa
ctors","CREB phosphorylation"}

> <broad_targets>
{ALK,IGF1R,INSR,RPS6KA1}

> <broad_moa>
{"insulin growth factor receptor inhibitor"}

> <synonyms>
{GSK1838705A,1116235-97-2,1116235972,GSK-1838705A,"GSK 1838705A",GSK1838705,"GSK 1838705",cc-268,cc268,MLS006010967,CHEMBL464552,GTPL5683,SCHEMBL2205605,SCHEMBL12428872,BDBM27817,C27H29FN8O3,CHEBI:937
68,AOB5716,DTXSID50648971,EX-A301,EXA301,HMS3656L15,BCP02847,MFCD194,T3079,S2703}

> <pdid>
PD010878

> <targets>
{IGF-1,ALK,IGF-1R}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{25182616}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 C   0  0
    6.2823   -1.5084    0.0000 C   0  0
    7.6962   -2.0093    0.0000 O   0  0
    5.8565   -0.0701    0.0000 N   0  0
    4.3570   -0.0307    0.0000 C   0  0
    3.4982    1.1992    0.0000 O   0  0
    4.9973   -3.8578    0.0000 C   0  0
    6.3342   -4.5421    0.0000 C   0  0
    6.4049   -6.0405    0.0000 C   0  0
    5.1427   -6.8509    0.0000 C   0  0
    5.2134   -8.3492    0.0000 Cl  0  0
    3.8097   -6.1630    0.0000 C   0  0
    3.7390   -4.6647    0.0000 C   0  0
    2.4063   -3.9763    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13463

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
SB216763

> <ctcr_id>
5668

> <supplier_cmpd_id>
T3077

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4ccc(Cl)cc4Cl

> <pd_targets>
{CCNA1,CCNA2,CDK2,MAPK1,CCNB1,CCNB2,CCNB3,CDK1,NFO,THPO,USP2,GMNN,GSK3B,MAPT,CYP2C19,MEX-5,ALD,HTT,HBB,GSK3A,KMT2A,MEN1,NFKB1,APEX1,HIF1A,CYP3A4,CYP2C9,LMNA,RORC,POLB,CCND1,CDK4,RECQL,FTL,CYP1A2,LEF,C
YP2D6,POS-1,PAX8}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Transcription factor","Secreted protein","Epigenetic regulator","Other nuclear protein",Kinase,Hydrolase,Protease,"Cytochrome P450",Reader,"Nu
clear receptor","Protein Kinase","Cysteine protease","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Metallo protea
se","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Metallo 
protease MAE clan","Cytochrome P450 family 2D","CMGC protein kinase CDK family","CMGC protein kinase MAPK family","Cysteine protease C19 family","CMGC protein kinase GSK family","Cytochrome P450 2C19"
,"Cytochrome P450 3A4","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Metallo protease M34 family","Cytochrome P450 2D6","CMGC protein kinase CDC2
 subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Peptidases and proteinases","Cytochrome P450","Chromatin modifying enzymes","Nuclear hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: 
Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","CYP3 family","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","CYP1 family","Mitogen-activated protein
 kinases (MAP kinases)","C19: Ubiquitin-specific protease","Glycogen synthase kinase (GSK) family","ERK subfamily","GSK subfamily"}

> <pathway_reactome>
{"Immune System",Hemostasis,"Gene expression (Transcription)","Cell Cycle",Disease,"Neuronal System",Metabolism,"DNA Repair","Cellular responses to external stimuli","Vesicle-mediated transport","Inna
te Immune System","Platelet activation","signaling and aggregation","RNA Polymerase II Transcription",Mitotic,"Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Cyto
kine Signaling in Immune system","Base Excision Repair","Cellular responses to stress","Metabolism of lipids","Membrane Trafficking","Toll-like Receptor Cascades","Platelet Aggregation (Plug Formation
)","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compou
nds","Neutrophil degranulation","Signaling by Interleukins","Resolution of Abasic Sites (AP sites)","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase"
,"trans-Golgi Network Vesicle Budding","Uptake and actions of bacterial toxins","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","G1/S Transition","SARS-CoV-1 Infection","Act
ivation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Interleukin-1 family signaling","Resolution of AP sites via the
 multiple-nucleotide patch replacement pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Transcri
ptional regulation by RUNX1","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","Uptake and function of anthrax toxins","MyD88 cascade initiated on plasma membrane","Regulatio
n of TP53 Activity","Activation of the pre-replicative complex","SARS-CoV-1 Genome Replication and Transcription","Post NMDA receptor activation events",Xenobiotics,"Regulation of MECP2 expression and
 activity","Interleukin-1 signaling","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of maresins","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and
 platelet function","RUNX3 Regulates Immune Response and Cell Migration","MAP kinase activation","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Activation of A
MPK downstream of NMDARs","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inact
ivated"}

> <broad_targets>
{CCNA2,CDK2,GSK3A,GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{280744-09-4,280744094,"SB 216763","3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione","3(2,4Dichlorophenyl)4(1methyl1Hindol3yl)1Hpyrrole2,5dione",SB216763,SB-216763,"3-(2,4-dichl
orophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione","3(2,4dichlorophenyl)4(1methylindol3yl)pyrrole2,5dione",C19H12Cl2N2O2,1H-Pyrrole-2,1HPyrrole2,5-dione,5dione,3-(2,3(2,4-dichlorophenyl)-4-,4dichloro
phenyl)4,T3077,1616,S1075}

> <pdid>
PD002648

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{176158}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    2.4283   -5.7163    0.0000 C   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5246   -7.2506    0.0000 O   0  0
    4.8054   -4.6666    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4990   -0.7517    0.0000 C   0  0
   -7.7980   -1.5017    0.0000 O   0  0
    4.2566    0.5871    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  5  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
  7 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13464

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
PIK-93

> <ctcr_id>
2529

> <supplier_cmpd_id>
T2616

> <smiles>
CC(=O)N=C1NC(=C(S1)c2ccc(Cl)c(c2)[S](=O)(=O)NCCO)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IK9,PIK-93,PIK93,AKOS016362896,CCG-264899,CCG264899,CS-0203,CS0203,DB06836,SB19248,NCGC00346536-01,NCGC0034653601,NCGC00346536-06,NCGC0034653606,AC-32793,AC32793,AS-16222,AS16222,HY-12046,HY12046,SMR
004702780,FT-0761476,FT0761476,SW219245-1,SW2192451,X7414,W-5546,W5546,960P113,J-523090,J523090,Q27088391,593960-11-3,593960113,"PIK 93",CHEMBL1229535,N-(5-(4-CHLORO-3,N(5(4CHLORO3,S1489}

> <pdid>

> <targets>
{PI3K,VEGFR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{6852167}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.0031    2.7742    0.0000 N   0  0
   -1.3040    3.5228    0.0000 C   0  0
   -2.6017    2.7705    0.0000 O   0  0
   -1.3071    5.0236    0.0000 N   0  0
   -0.0936    5.8834    0.0000 C   0  0
   -0.5571    7.3100    0.0000 C   0  0
   -2.0571    7.3100    0.0000 C   0  0
   -2.5206    5.8834    0.0000 C   0  0
   -3.9429    5.4124    0.0000 C   0  0
   -5.0639    6.4090    0.0000 O   0  0
   -4.2459    3.9433    0.0000 N   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6321   -2.2464    0.0000 C   0  0
   -3.1114   -2.3441    0.0000 C   0  0
   -3.4619   -3.8026    0.0000 S   0  0
   -2.1831   -4.5866    0.0000 C   0  0
   -1.0423   -3.6127    0.0000 N   0  0
   -2.0659   -6.0803    0.0000 C   0  0
   -3.3018   -6.9304    0.0000 C   0  0
   -0.7120   -6.7259    0.0000 C   0  0
   -1.9479   -7.5756    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  4 16  1  0
 16 17  1  0
 17  2  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 18  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13465

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
A66

> <ctcr_id>
1915

> <supplier_cmpd_id>
T2418

> <smiles>
Cc1nc(NC(=O)N2CCCC2C(=O)N)sc1c3csc(n3)C(C)(C)C

> <pd_targets>
{PIK3CB,PIK3CG,PIK3C2B,PIK3CA,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messeng
ers","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease","Signaling by Interleukins","Insulin receptor signalling cascade","P
I Metabolism","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation"
,"Interleukin receptor SHC signaling","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{PIK3CA}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{SCHEMBL12700770,HMS3656L07,HMS3672C17,AKOS026750475,NCGC00389613-01,NCGC0038961301,AK279970,SY-A66,S2636,A66}

> <pdid>
PD010905

> <targets>
{PI3K,PIK3,"alpha PIK3CA"}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{74832860}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    6.4850   -8.2603    0.0000 C   0  0
    5.1876   -7.5074    0.0000 C   0  0
    3.8872   -8.2549    0.0000 C   0  0
    5.1845   -9.0074    0.0000 C   0  0
    5.1900   -6.0066    0.0000 N   0  0
    3.8919   -5.2533    0.0000 S   0  0
    2.5915   -6.0008    0.0000 O   0  0
    3.8888   -6.7533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  1  0
 25 15  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13466

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
CZC24832

> <ctcr_id>
5049

> <supplier_cmpd_id>
T1949

> <smiles>
CC(C)(C)NS(=O)(=O)c1cncc(c1)c2cc(F)c3nc(N)nn3c2

> <pd_targets>
{PIK3CG,PIK3CD,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Phospholipid metabolism","Signaling by Interleu
kins","Signaling by Insulin receptor","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","Synthesis of PIPs at the plasma membrane","Interleukin r
eceptor SHC signaling","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{CZC24832,1159824-67-5,1159824675,"CZC 24832",CZC-24832,CHEMBL2064571,SCHEMBL936070,GTPL6653,AOB4312,DTXSID50655226,HMS3652D16,BCP08888,EX-A2044,EXA2044,BDBM50389420,FD5029,MFCD22417090,s7018,ZINC8470
8455,AKOS024458285,CCG-268214,CCG268214,CS-0710,CS0710,SB17239,NCGC00379179-07,NCGC0037917907,AS-7,AS7,T1949,S7018}

> <pdid>
PD003251

> <targets>
{PI3K,"Product Categories PI3K/Akt/mTORPI3K PI3K"}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{42623951}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
   13.2524   -0.5550    0.0000 Cl  0  0
   10.7524   -0.5550    0.0000 Cl  0  0
    6.4878   -5.2574    0.0000 N   0  0
    6.4934   -3.7574    0.0000 C   0  0
    6.8046   -2.3560    0.0000 C   0  0
    8.2524   -2.7481    0.0000 C   0  0
    7.8603   -4.1959    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -4.0238    3.4635    0.0000 C   0  0
   -4.4873    4.8901    0.0000 O   0  0
   -4.9055    2.2500    0.0000 N   0  0
   -4.0238    1.0365    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  4  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 25 16  2  0
 25 26  1  0
 26 27  2  0
 27 14  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13467

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
MK-2206 dihydrochloride

> <ctcr_id>
1270

> <supplier_cmpd_id>
T1952

> <smiles>
Cl.Cl.NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6

> <pd_targets>
{AKT1,AKT3,AKT2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Insulin receptor","Tra
nscriptional Regulation by TP53","Insulin receptor signalling cascade","Regulation of TP53 Activity","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulatio
n of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{K220,1032350-13-2,1032350132,"MK-2206 dihydrochloride","MK2206 dihydrochloride","MK-2206 2HCl","MK2206 2HCl",MK2206,"MK-2206 HCl salt","MK2206 HCl salt",UNII-Q34I3E28IO,UNIIQ34I3E28IO,"MK 2206",Q34I3
E28IO,C25H21N5O,"MK 2206 2HCl","AHU377 calcium salt",PubChem22473,1032349-77-1,1032349771,"MK 2206 dihydrochloride",C25H21N5O.HCl,cc-295,cc295,C25H21N5O.,T1952,S1078,"MK-2206 2HCl",MK-2206,"MK-2206 (d
ihydrochloride)"}

> <pdid>
PD003288

> <targets>
{Akt,AKT,Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{46930998}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8993    3.7504    0.0000 C   0  0
   -3.9002    5.2504    0.0000 C   0  0
   -2.6017    6.0012    0.0000 C   0  0
   -1.3022    5.2521    0.0000 C   0  0
   -1.3012    3.7521    0.0000 C   0  0
   -2.6026    7.5020    0.0000 C   0  0
   -3.9010    8.2533    0.0000 C   0  0
   -3.8995    9.7533    0.0000 N   0  0
   -2.5998   10.5021    0.0000 C   0  0
   -2.5983   12.0021    0.0000 N   0  0
   -1.3015    9.7509    0.0000 C   0  0
   -1.3029    8.2509    0.0000 N   0  0
    0.0006   10.4974    0.0000 C   0  0
    0.0046   11.9974    0.0000 O   0  0
    1.2985    9.7439    0.0000 N   0  0
    2.6005   10.4904    0.0000 C   0  0
    3.8989    9.7392    0.0000 C   0  0
    5.1987   10.4879    0.0000 C   0  0
    5.2001   11.9879    0.0000 C   0  0
    3.9018   12.7392    0.0000 N   0  0
    2.6021   11.9904    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13468

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
AZD2858

> <ctcr_id>
662

> <supplier_cmpd_id>
T1957

> <smiles>
CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)c(n3)C(=O)Nc4cccnc4

> <pd_targets>
{GSK3B,CCNE1,CCNE2,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-1 Genome Replication and Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{AZD2858,486424-20-8,486424208,AZD-2858,"AZD 2858",CHEMBL2177161,"486424-20-8 (free base)","486424208 (free base)","GSK-3 inhibition","GSK3 inhibition",GTPL8478,SCHEMBL3327702,C21H23N7O3S,AOB6850,EX-A
707,EXA707,CHEBI:167652,HMS3653E04,HMS3886P11,BCP08089,2237AH,BDBM50397745,MFCD26397072,s7253,ZINC34299752,T1957,S7253}

> <pdid>
PD010380

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10138980}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    6.4900   -5.2616    0.0000 C   0  0
    5.1886   -6.0075    0.0000 C   0  0
    5.1838   -7.5075    0.0000 C   0  0
    3.8824   -8.2533    0.0000 O   0  0
    2.5858   -7.4992    0.0000 C   0  0
    2.5905   -5.9992    0.0000 C   0  0
    3.8919   -5.2532    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4968   -0.7536    0.0000 C   0  0
    7.8815   -0.6869    0.0000 C   0  0
    7.1316   -1.9860    0.0000 C   0  0
    6.4969    0.7472    0.0000 S   0  0
    7.7956    1.4979    0.0000 O   0  0
    6.4964    2.2472    0.0000 O   0  0
    5.1977    1.4969    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 14  1  0
 22 18  2  0
 10 23  1  0
 23 24  1  0
 24 25  1  0
 25 23  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13469

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
AZ20

> <ctcr_id>
4772

> <supplier_cmpd_id>
T1958

> <smiles>
CC1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)S(=O)(=O)C

> <pd_targets>
{PIK3CA,MTOR,KCNH2,ATR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Lipid modifying kinases",Atypical,"Potassium channels",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidy
l inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","FRAP subfamily","ATR subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Muscle contraction","DNA Repair","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Cardi
ac conduction","DNA Double-Strand Break Repair","Signaling by FGFR in disease","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Homology Directed Repair","Signaling by FGFR1 in diseas
e","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","FGFR1 mutant receptor activation","Regulation of TP53 Activity","HDR through Homo
logous Recombination (HRR)","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Degradation",
"Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATR,MTOR}

> <broad_moa>
{"ATR kinase inhibitor"}

> <synonyms>
{HMS3652P18,HMS3672M21,HMS3750K17,BCP09895,AKOS026750283,AK175518,DA-35313,DA35313,T1958,S7050,AZ20}

> <pdid>
PD010639

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{75184787}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    2.5814   -7.4998    0.0000 C   0  0
    2.5868   -5.9998    0.0000 N   0  0
    3.8888   -5.2533    0.0000 C   0  0
    5.1854   -6.0076    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -6.4924   -3.7525    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 O   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0  2  0  0  0
   -6.4996    0.7475    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -2.6029    6.0009    0.0000 O   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0  2  0  0  0
    0.0000    3.0050    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 11  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  6
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  6
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13470

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
Vistusertib

> <ctcr_id>
7239

> <supplier_cmpd_id>
T1961

> <smiles>
CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C

> <pd_targets>
{MTOR,PIK3CG,PIK3CB,KCNH2,PIK3CD,PIK3CA,PIK3C3,PIK3R1,MLST8,RPTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels",Atypical,"Lipid modifying kinases","Potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phos
phatidylinositol-4,"5-bisphosphate 3-kinase family","Voltage-gated potassium channels","Phosphatidylinositol 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Muscle contraction","Immune System",Disease,"RNA Polymerase II Transcription","Metabolism of lipids","Signaling by Receptor Tyrosin
e Kinases","Cardiac conduction","Cytokine Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Phospholipid m
etabolism","Signaling by Insulin receptor","Phase 3 - rapid repolarisation","Signaling by Interleukins","Signaling by FGFR in disease","Transcriptional Regulation by TP53","PI Metabolism","Insulin rec
eptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","IRS-mediated sign
alling","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation","Regulation of TP53 Expression and Degradation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation
 of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{AZD2014,Vistusertib,1009298-59-2,1009298592,AZD-2014,"AZD 2014",UNII-0BSC3P4H5X,UNII0BSC3P4H5X,0BSC3P4H5X,"Vistusertib (AZD-2014)","Vistusertib (AZD2014)",cc-551,cc551,CHEMBL2336325,C25H30N6O3,"Vistu
sertib (INN)","vistusertib (AZD2014)","Vistusertib (USAN)","Vistusertib (JAN/INN)","Vistusertib (USAN:IN",T1961,S2783}

> <pdid>
PD003275

> <targets>
{mTOR,Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{25262792}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    3.9195   -5.8781    0.0000 C   0  0
    2.4283   -5.7163    0.0000 O   0  0
    4.5250   -7.2514    0.0000 N   0  0
    5.9828   -7.5456    0.0000 C   0  0
    6.1372   -9.0377    0.0000 C   0  0
    4.7659   -9.6456    0.0000 C   0  0
    3.7640   -8.5292    0.0000 C   0  0
    2.2730   -8.6751    0.0000 C   0  0
    1.6521  -10.0406    0.0000 O   0  0
    1.4005   -7.4550    0.0000 N   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -1.2996   -2.2502    0.0000 C   0  0
   -3.8990   -0.7508    0.0000 C   0  0
   -5.1981   -1.5008    0.0000 F   0  0
   -3.8995    0.7492    0.0000 F   0  0
   -5.1982   -0.0010    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  4 16  1  0
 16 17  1  0
 17  2  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13471

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Alpelisib

> <ctcr_id>
7254

> <supplier_cmpd_id>
T1921

> <smiles>
Cc1nc(NC(=O)N2CCCC2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F

> <pd_targets>
{PIK3CA,PIK3CG,PIK3CD,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,Metabolism,"Immune System","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Cytokine Signaling in Immune system
","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR in disease","Phospholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Signaling by FGFR1 in disease","PI Meta
bolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC
 signaling","IRS-mediated signalling","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{UNII-08W5N2C97Q,UNII08W5N2C97Q,CHEMBL2396661,08W5N2C97Q,C19H22F3N5O2S,4jps,"Piqray (TN)","Alpelisib (USAN:INN)",QCR-1,QCR1,"Alpelisib (JAN/USAN/INN)",cc-697,cc697,GTPL7955,SCHEMBL1911869,CHEBI:93752,
DTXSID70153355,EX-A405,EXA405,"BYL 719; BYL719",AOB87192,"NVP-BYL719 (BYL719)","NVPBYL719 (BYL719)",229,T1921,16986,S2814,Alpelisib,BYL-719,BYL719}

> <pdid>
PD003252

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{56649450}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 N   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 N   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 N   0  0
   -5.1851   -3.0098    0.0000 N   0  0
   -6.4804   -3.7665    0.0000 C   0  0
   -6.4728   -5.2665    0.0000 C   0  0
   -5.1700   -6.0099    0.0000 O   0  0
   -3.8748   -5.2534    0.0000 C   0  0
   -3.8823   -3.7534    0.0000 C   0  0
   -7.7994    1.4823    0.0000 N   0  0
   -7.8071    2.9823    0.0000 C   0  0
   -9.1099    3.7257    0.0000 C   0  0
  -10.4052    2.9692    0.0000 O   0  0
  -10.3976    1.4692    0.0000 C   0  0
   -9.0948    0.7258    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 11 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
  7 27  1  0
 27 28  2  0
 28  4  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13472

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
MHY1485

> <ctcr_id>
11455

> <supplier_cmpd_id>
T1908

> <smiles>
[O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{mhy1485,326914-06-1,326914061,"4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine","4,6dimorpholinoN(4nitrophenyl)1,3,5triazin2amine","4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-ami
ne","4,6dimorpholin4ylN(4nitrophenyl)1,3,5triazin2amine","MHY 1485",MHY-1485,MHY1485,C17H21N7O4,"4,6-bis(morpholin-4-yl)-N-(4-nitrophenyl)-1,3,5-triazin-2-amine","4,6bis(morpholin4yl)N(4nitrophenyl)1,
3,5triazin2amine",ChemDiv1,T1908}

> <pdid>
PD012312

> <targets>
{mTOR,Autophagy}

> <classes>
{PI3K/Akt/mTOR signaling,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{2834965}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.4760   -2.2250    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1557   -4.4845    0.0000 C   0  0
    6.4537   -5.2364    0.0000 O   0  0
    3.8551   -5.2334    0.0000 N   0  0
    3.8524   -6.7342    0.0000 C   0  0
    5.1526   -7.4839    0.0000 C   0  0
    6.4524   -6.7335    0.0000 C   0  0
    7.7519   -7.4828    0.0000 O   0  0
    2.5518   -7.4831    0.0000 C   0  0
    2.5469   -8.9831    0.0000 C   0  0
    1.2455   -9.7290    0.0000 C   0  0
   -0.0512   -8.9748    0.0000 C   0  0
   -1.3526   -9.7207    0.0000 Cl  0  0
   -0.0464   -7.4748    0.0000 C   0  0
    1.2551   -6.7290    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  8  1  0
 16 12  2  0
  2 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 20 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13473

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
Capivasertib

> <ctcr_id>
6712

> <supplier_cmpd_id>
T1920

> <smiles>
NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CCO)c4ccc(Cl)cc4

> <pd_targets>
{ROCK2,AKT1,AKT3,AKT2,ROCK1,CCR5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase DMPK family","AGC protein kinase AKT family","AGC protein kinase ROCK subfamily","Membrane receptor","Family A G protein-
coupled receptor","Peptide receptor (family A GPCR)","Chemokine receptor","CC chemokine receptor"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","DMPK family","Akt (Protein kinase B","PKB) family","Rho kinase",Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Signal Transduction","Nervous system development","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Axon guidance"
,"Generic Transcription Pathway","Signaling by Insulin receptor","Semaphorin interactions","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","Sema4D in semaphorin signaling","
Regulation of TP53 Activity","IRS-mediated signalling","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degra
dation","PKB-mediated events","PDE3B signalling",Disease,"Infectious disease","HIV Infection","HIV Life Cycle","Early Phase of HIV Life Cycle","Binding and entry of HIV virion"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{"AZD5363 RACEMATE",SCHEMBL390244,CHEMBL2325738,BDBM256834,HMS3653N19,HMS3673C21,BCP04083,EX-A1624,EXA1624,AKOS026750264,NCGC00389738-01,NCGC0038973801,AK316078,"US9492453, 13",T1920,S8019,Capivaserti
b,AZD5363}

> <pdid>
PD010264

> <targets>
{Akt}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{42602260}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 45 50  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 N   0  0
   -7.7802   -3.0220    0.0000 C   0  0
   -6.4773   -3.7652    0.0000 O   0  0
   -9.0758   -3.7796    0.0000 N   0  0
   -9.0685   -5.2804    0.0000 C   0  0
  -10.3623   -6.0394    0.0000 C   0  0
  -10.3519   -7.5394    0.0000 C   0  0
   -9.0477   -8.2804    0.0000 C   0  0
   -7.7539   -7.5214    0.0000 C   0  0
   -7.7643   -6.0214    0.0000 C   0  0
   -9.0373   -9.7811    0.0000 C   0  0
  -10.3299  -10.5422    0.0000 N   0  0
  -10.3172  -12.0422    0.0000 C   0  0
   -9.0118  -12.7811    0.0000 N   0  0
   -7.7192  -12.0201    0.0000 C   0  0
   -7.7319  -10.5201    0.0000 N   0  0
   -6.4132  -12.7594    0.0000 N   0  0
   -6.3979  -14.2594    0.0000 C   0  0
   -5.0914  -14.9962    0.0000 C   0  0
   -3.8000  -14.2331    0.0000 O   0  0
   -3.8151  -12.7332    0.0000 C   0  0
   -5.1216  -11.9963    0.0000 C   0  0
  -11.6104  -12.8036    0.0000 N   0  0
  -12.9171  -12.0668    0.0000 C   0  0
  -14.2085  -12.8299    0.0000 C   0  0
  -14.1933  -14.3298    0.0000 O   0  0
  -12.8868  -15.0667    0.0000 C   0  0
  -11.5954  -14.3036    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 28 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 38  1  0
 15 44  1  0
 44 45  2  0
 45 12  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13474

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
Gedatolisib

> <ctcr_id>
5236

> <supplier_cmpd_id>
T1970

> <smiles>
CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2

> <pd_targets>
{PIK3CD,MTOR,PIK3CA,PIK3CG,PIK3C3,PIK3C2B,PIK3CB,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidyl
inositol 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Diseases of signal transduction by 
growth factor receptors and second messengers","Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Generic Transcription Pathway","Signaling by FGFR in disease
","Phospholipid metabolism","Signaling by Insulin receptor",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","PI Metabolism","Ins
ulin receptor signalling cascade","Interleukin receptor SHC signaling","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","IRS-mediated signall
ing","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{"F05212384 (PKI587",Gedatolisib,1197160-78-3,1197160783,PKI-587,PKI587,PF-05212384,PF05212384,"PKI 587","PF 05212384",UNII-96265TNH2R,UNII96265TNH2R,"PF-05212384 (PKI-587)","PF05212384 (PKI587)",CHEM
BL592445,"Gedatolisib (PF-05212384, PKI-587)","Gedatolisib (PF05212384, PKI587)",96265TNH2R,"PKI-587; PF-05212384","PKI587; PF05212384","Gedatolisib (USAN:INN)","PK 58",T1970,S2628}

> <pdid>
PD016682

> <targets>
{mTOR,PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{44516953}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    8.7484    4.8332    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    4.0312    5.2379    0.0000 C   0  0
    5.4984    5.5498    0.0000 N   0  0
    6.2484    4.2507    0.0000 N   0  0
    5.2447    3.1360    0.0000 C   0  0
    2.9122    6.2341    0.0000 C   0  0
    1.4884    5.7621    0.0000 O   0  0
    3.2150    7.7041    0.0000 N   0  0
    2.0940    8.7020    0.0000 C   0  0
    2.3945   10.1716    0.0000 C   0  0
    1.2721   11.1667    0.0000 C   0  0
   -0.1509   10.6922    0.0000 N   0  0
   -0.4514    9.2227    0.0000 C   0  0
    0.6710    8.2276    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  4 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13475

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
AT 7519 hydrochloride salt

> <ctcr_id>
11461

> <supplier_cmpd_id>
T1778

> <smiles>
Cl.Cc1c(C(=O)Nc2c([nH]nc2)C(=O)NC2CCNCC2)c(Cl)ccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AT 7519 Hydrochloride","AT 7519 HCL",AKOS025117569,AC-29009,AC29009,135P915,T1778,"AT 7519 hydrochloride salt"}

> <pdid>
PD055796

> <targets>
{CDK2/CyclinA,CDK4/CyclinD1,CDK5/p35,CDK9/CyclinT,GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Cell Cycle/Checkpoint","Stem Cells"}

> <pubchem_cids>
{91669601}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 N   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9973    4.4890    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0071   -7.5009    0.0000 Cl  0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  3  0
 10 23  1  0
 23 24  2  0
 24  7  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13476

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
CHIR-99021

> <ctcr_id>
1214

> <supplier_cmpd_id>
T2310

> <smiles>
Cc1c[nH]c(n1)c2cnc(NCCNc3ccc(cn3)C#N)nc2c4ccc(Cl)cc4Cl

> <pd_targets>
{CCNB1,CCNB2,CCNB3,CDK1,GSK3B,CSNK1G1,GSK3A,MAPK1,RPS6KB1,LIMK1,CDK2,SLK,CLK4,TAOK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CK1 protein kinase group","AGC protein kinase group","TKL protein kinase group","STE protein kinase group","CMGC protein kinase CDK family"
,"CMGC protein kinase GSK family","CK1 protein kinase CK1 family","CMGC protein kinase MAPK family","AGC protein kinase RSK family","TKL protein kinase LISK family","STE protein kinase STE20 family","
CMGC protein kinase CLK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase ERK1","AGC protein kinase p70 subfamily","TKL protein kinase LIMK subfamily","STE protein kinase SLK subfamily
","STE protein kinase TAO subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","STE:
 Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Glycogen synthase kinase (GSK) family","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Cyclin-depende
nt kinase (CDK) family","RSK family","TKL: Tyrosine kinase-like","STE20 family","CLK family","GSK subfamily","ERK subfamily","CDK1 subfamily","p70 subfamily","LIM domain kinase (LISK) family","SLK sub
family","TAO subfamily","LIMK subfamily"}

> <pathway_reactome>
{Disease,"Immune System","Cell Cycle","Signal Transduction","Developmental Biology","Gene expression (Transcription)","Infectious disease","Innate Immune System",Mitotic,"MTOR signalling","Nervous sys
tem development","RNA Polymerase II Transcription","SARS-CoV Infections","Toll-like Receptor Cascades","Regulation of mitotic cell cycle","mTORC1-mediated signalling","Axon guidance","Generic Transcri
ption Pathway","M Phase","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","APC/C-mediated degradation of cell cycle proteins","Semaphorin interactions","Transcriptional Regulation by TP53"
,"Mitotic Metaphase and Anaphase","SARS-CoV-1 Genome Replication and Transcription","MyD88 cascade initiated on plasma membrane","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic pr
oteins","Sema4D in semaphorin signaling","Regulation of TP53 Activity","Mitotic Anaphase","Replication of the SARS-CoV-1 genome","MAP kinase activation","APC/C:Cdc20 mediated degradation of mitotic pr
oteins","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","MAPK targets/ Nuclear events mediated by MAP kinases
","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated degradatio
n of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CDK1,GSK3A,GSK3B,MAPK1}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{HIR9902,"HIR 9902",CHIR-99021,CHIR99021,"CHIR 99021",252917-06-9,252917069,"252917 06 9",CT99021,"CT 99021",CT-99021,"GSK-3 Inhibitor XVI","GSK3 Inhibitor XVI","GSK 3 Inhibitor XVI",UNII-234CMT4GK4,U
NII234CMT4GK4,"UNII 234CMT4GK4",CHIR-911,CHIR911,CHIR,S1263}

> <pdid>
PD003256

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{9956119}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
    3.9075   -3.7444    0.0000 C   0  0
    2.6060   -2.9986    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  5  1  0
 13  9  2  0
  3 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 14  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13477

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
Idelalisib

> <ctcr_id>
7581

> <supplier_cmpd_id>
T1894

> <smiles>
CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5

> <pd_targets>
{PIK3C3,PIK3CD,PIK3CG,PIK3CB,PIK3CA,PIK3R1,PRKDC,PIK3R2}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by grow
th factor receptors and second messengers","Innate Immune System","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Signaling by FGFR in disease","Cytosolic sensor
s of pathogen-associated DNA","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Signaling by FGFR1 in disease","STING mediated induction of host
 immune responses","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","IRF3-mediated induction of type I IFN",
"PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AL101 (IDELALISIB",GS-1101,GS1101,SCHEMBL356400,Idelalisib,870281-82-6,870281826,CAL-101,CAL101,Zydelig,"CAL 101",1146702-54-6,1146702546,UNII-YG57I8T5M0,UNIIYG57I8T5M0,"CAL-101 (Idelalisib, GS-1101
)","CAL101 (Idelalisib, GS1101)","Idelalisib (CAL-101)","Idelalisib (CAL101)","GS 1101",(S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinaz,(S)2(1(9Hpurin6ylamino)propyl)5fluoro3phenylquinaz,
T1894,759224,S2226,SY-CAL101}

> <pdid>
PD003400

> <targets>
{PI3K-delta,PI3K}

> <classes>
{}

> <pubchem_cids>
{11625818}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  4  1  0
 12  8  2  0
  2 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 13  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13478

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
Duvelisib

> <ctcr_id>
2672

> <supplier_cmpd_id>
T1988

> <smiles>
CC(Nc1ncnc2nc[nH]c12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{"PI145 (INK1197",IPI-145;INK1197,IPI145;INK1197,8-chloro-2-phenyl-3-((1S)-1-(7H-purin-6-ylamino)ethyl)isoquinolin-1-one,8chloro2phenyl3((1S)1(7Hpurin6ylamino)ethyl)isoquinolin1one,"Duvelisib R enanti
omer","Duvelisib, INK-1197","Duvelisib, INK1197",SCHEMBL153544,CHEMBL3969872,SCHEMBL19457406,SCHEMBL20580106,HMS3652L16,HMS3748K21,1261590-48-0,1261590480,AKOS0,T1988,S7028,Duvelisib,"IPI-145 (INK1197
)"}

> <pdid>
PD056013

> <targets>
{PI3K}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{58008990}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2984   -3.7504    0.0000 C   0  0
    0.0020   -3.0025    0.0000 C   0  0
    1.2998   -3.7545    0.0000 C   0  0
    1.2974   -5.2545    0.0000 C   0  0
   -0.0028   -6.0025    0.0000 C   0  0
   -1.3006   -5.2504    0.0000 C   0  0
   -0.0052   -7.5033    0.0000 C   0  0
    1.2922   -8.2562    0.0000 F   0  0
   -1.3056   -8.2508    0.0000 F   0  0
   -0.0082   -9.0033    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 11  1  0
 31 32  2  0
 32  8  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13479

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Torin 2

> <ctcr_id>
4560

> <supplier_cmpd_id>
T6100

> <smiles>
Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2

> <pd_targets>
{PIK3CD,PIK3R1,PIK3C2B,MTOR,PIK3CG,PI4KB,PRKDC,PIK3C3,PIK3CA,PIK3C2A,MLST8,RPTOR,ATR,ATM}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinosit
ol-4,"5-bisphosphate 3-kinase family","1-phosphatidylinositol 4-kinase family","Phosphatidylinositol 3-kinase family","FRAP subfamily","Other PIKK family kinases","ATR subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Signal Transduction","DNA Repair",Disease,"Cell Cycle","Metabolism of lipids","RNA Polymerase II Transcription","Innate Immune System","S
ignaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second messengers","Cell C
ycle Checkpoints","Phospholipid metabolism","Generic Transcription Pathway","Cytosolic sensors of pathogen-associated DNA","Signaling by Insulin receptor","Signaling by Interleukins","Homology Directe
d Repair","Signaling by FGFR in disease","G1/S DNA Damage Checkpoints","PI Metabolism","Transcriptional Regulation by TP53","STING mediated induction of host immune responses","Insulin receptor signal
ling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR1 in disease","p53-Dependent G1/S DNA d
amage checkpoint","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Activity","Synthesis of PIPs at the Golgi membrane","IRF3-mediated induction of type I IFN","IRS-mediated signalling","
Interleukin receptor SHC signaling","Synthesis of PIPs at the early endosome membrane","HDR through Homologous Recombination (HRR)","FGFR1 mutant receptor activation","p53-Dependent G1 DNA Damage Resp
onse","Regulation of TP53 Expression and Degradation","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Signaling by cytosolic FGFR1 fusion mutants","Stabilization of p53","Regulation of TP
53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{"Torin 2",1223001-51-1,1223001511,Torin2,Torin-2,CHEMBL1765602,C24H15F3N4O,CHEBI:90682,cc-275,cc275,MLS006011167,GTPL8839,SCHEMBL6876328,AOB3537,DTXSID00679917,EX-A431,EXA431,HMS3265O05,HMS3265O06,HM
S3265P05,HMS3265P06,HMS3651N13,BCP02612,ABP000908,BDBM50341209,MFCD187826,T6100,S2817}

> <pdid>
PD010558

> <targets>
{mTOR,ATM/ATR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{51358113}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    6.0753   -1.3997    0.0000 C   0  0
    5.0512   -2.4957    0.0000 C   0  0
    5.4884   -3.9306    0.0000 C   0  0
    6.9497   -4.2694    0.0000 F   0  0
    4.4644   -5.0266    0.0000 C   0  0
    3.0032   -4.6878    0.0000 C   0  0
    2.5660   -3.2530    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    4.1718    0.3758    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -3.3305   -4.5751    0.0000 C   0  0
   -4.8134   -4.8011    0.0000 C   0  0
   -5.3592   -6.1983    0.0000 C   0  0
   -4.4221   -7.3695    0.0000 C   0  0
   -4.9679   -8.7667    0.0000 N   0  0
   -2.9392   -7.1436    0.0000 N   0  0
   -2.3934   -5.7464    0.0000 C   0  0
    4.9018   -6.4623    0.0000 S   0  0
    6.3629   -6.8020    0.0000 O   0  0
    3.8775   -7.5580    0.0000 O   0  0
    5.3384   -7.8974    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 11  1  0
 18 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
  5 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13480

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
XL388

> <ctcr_id>
3113

> <supplier_cmpd_id>
T6030

> <smiles>
Cc1c(F)c(ccc1C(=O)N2CCOc3ccc(cc3C2)c4ccc(N)nc4)S(=O)(=O)C

> <pd_targets>
{MTOR,PRKDC}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","RNA Polymerase II Transcription","Innate Immune System","Generic Transcription Pathway","Cytosolic sensors of pathogen-associated DNA","Transcriptio
nal Regulation by TP53","STING mediated induction of host immune responses","Regulation of TP53 Activity","IRF3-mediated induction of type I IFN","Regulation of TP53 Expression and Degradation","Regul
ation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{XL388,1251156-08-7,1251156087,XL-388,"XL 388",UNII-B7I5G3Z7XR,UNIIB7I5G3Z7XR,B7I5G3Z7XR,CHEMBL2333365,GTPL7973,SCHEMBL3761352,SYN1186,BCP07897,EX-A1571,EXA1571,2808AH,BDBM50429867,s7035,ZINC95550928,
AKOS024458404,CCG-269288,CCG269288,CS-1535,CS1535,SB16471,NCGC00351483-07,NCGC0035148307,NCGC00351483-09,NCGC0035148309,AC-31526,AC31526,AK,T6030,S7035}

> <pdid>
PD021598

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{59604787}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 C   0  0
   -6.9619    8.6141    0.0000 F   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 N   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 12 20  2  0
 20 21  1  0
 21 10  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13481

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
SB203580

> <ctcr_id>
4877

> <supplier_cmpd_id>
T1764

> <smiles>
C[S](=O)c1ccc(cc1)c2[nH]c(c3ccc(F)cc3)c(n2)c4ccncc4

> <pd_targets>
{TNNI3K,GSK3B,RPS6KA6,MAPK14,MAPK11,MAPK12,MAPK13,TGFBR1,ACVR1B,LCK,TYK2,NLK,KMT2A,MEN1,HSD17B10,CSNK1A1,RAF1,MAPK9,EGFR,CYP2D6,TTK,RIPK2,GAK,CSNK1D,BRAF,MAP2K1,MAP2K2,CYP1A2,CYP3A4,HTR4,FRK,MAPK10,ST
K36,PTK6,SLK,TNIK,CDC42BPG,CDPK1,TXK,CDC42BPB,MAPK-1,RPS6KA1,EPHA6,SRC,MAPK1,STK32B,LEF,ERBB4,ALDH1A1,EPHB2,CSNK1E,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,CYP2C9,CYP2C19,MAPK
8,MAP4K4,MET,CIT,COQ8B,TGFBR2,PTGS1,ABL1,SIK2,KDM4E,SIK3,STK32A,ALOX5,TEK,DDR2,P2RX7,DDR1,ALOX15,HPGD,MAP2K5,FLT4,MAP3K20,CSNK1A1L,CDC42BPA,GCGR,PRKACA,PRKACB,PRKACG,TSHR,MINK1,BMPR1B,PIP5K1C,PRKD2,EP
HB6,TBXAS1,PDE5A,ADORA1,ADORA2A,CHRM1,ERBB2,TYR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Ion channel","Unclassified protein",Kinase,Reader,Oxidoreductase,"Cytochrome P450","Family A G protein-coupled receptor",Protease,Eraser,"Ligand-gat
ed ion channel","Family B G protein-coupled receptor",Transferase,Phosphodiesterase,"Protein Kinase",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Small
 molecule receptor (family A GPCR)","Metallo protease","Lysine demethylase","P2X receptor","Peptide receptor (family B GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 5","Phosphodies
terase 5","TKL protein kinase group","CMGC protein kinase group","AGC protein kinase group","TK protein kinase group","CK1 protein kinase group","Cytochrome P450 family 2D","Other protein kinase group
","STE protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Monoamine receptor","Metallo protease MAE clan","Cytochrome P450 family 2C","Atypical protein kinase group","CAMK 
protein kinase group","Jumonji domain-containing","Glucagon-like receptor","Glycohormone receptor","Cytochrome P450 family 5A","Phosphodiesterase 5A","Nucleotide-like receptor (family A GPCR)","TKL pr
otein kinase MLK family","CMGC protein kinase GSK family","AGC protein kinase RSK family","CMGC protein kinase MAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","Tyros
ine protein kinase JakA family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase EGFR family","Cytochrome P450 2D6","Other protein kinase TTK family","TKL prote
in kinase RIPK family","Other protein kinase NAK family","STE protein kinase STE7 family","Cytochrome P450 1A1","Cytochrome P450 3A4","Serotonin receptor","Other protein kinase ULK family","STE protei
n kinase STE20 family","AGC protein kinase DMPK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Eph family","AGC protein kinase YANK family","Metallo protease M34 family","AGC pr
otein kinase PKC family","Cytochrome P450 2C9","Cytochrome P450 2C19","Tyrosine protein kinase Met family","Atypical protein kinase ABC1 family","Tyrosine protein kinase Abl family","CAMK protein kina
se CAMK1 family","Tyrosine protein kinase Tie family","Tyrosine protein kinase DDR family","Tyrosine protein kinase VEGFR family","Glucagon receptor","AGC protein kinase PKA family","CAMK protein kina
se PKD family","Cytochrome P450 5A1","Adenosine receptor","Acetylcholine receptor","TKL protein kinase HH498 subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase p38 subfamily","TKL prot
ein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","CMGC protein kinase JNK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","AGC protein kinase GEK 
subfamily","CMGC protein kinase ERK1","AGC protein kinase PKC alpha subfamily","AGC protein kinase CRIK subfamily","Atypical protein kinase ABC1-A subfamily","TKL protein kinase STKR Type 2 subfamily"
,"CAMK protein kinase QIK subfamily","TKL protein kinase MLK subfamily","CK1 protein kinase CK1-a"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Ligand-gated ion cha
nnels","Cyclic nucleotide turnover/signalling","1.-.-.- Oxidoreductases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase
 1","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","5-Hydroxytryptamine receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,Cyclooxygenase,"CA
MK: Calcium/calmodulin-dependent protein kinases","1.14.11.- Histone demethylases",Lipoxygenases,"P2X receptors","Prostaglandin synthases","Glucagon receptor family","Glycoprotein hormone receptors","
Lipid modifying kinases",CYP5,"CYP7 and CYP8 families",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Adenosine receptors","Acetylcholine receptors (muscarinic)","TKL: Tyrosine kinase-like","Gly
cogen synthase kinase (GSK) family","RSK family","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Other protein kinases","STE20 family","DMPK fam
ily","YANK family","STE7 family","ABC1 family","CAMK-like (CAMKL) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase D (PKD) family","Mixed Lineage Kinas
e (MLK) family","GSK subfamily","RSK subfamily","p38 subfamily","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","nmo subfamily","RAF family","JNK subfamily","R
eceptor tyrosine kinases (RTKs)","TTK family","Receptor interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","Unc-51-like kinase (ULK) family","SLK subfamily","MSN subfamily
","GEK subfamily","ERK subfamily","Other DMPK family kinases","ABC1-B subfamily","QIK subfamily","HH498 subfamily","Type I receptor serine/threonine kinases","Src family","Janus kinase (JakA) family",
"Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Type XIII RTKs: Ephrin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type II receptor seri
ne/threonine kinases","Abl family","Type XII RTKs: TIE family of angiopoietin receptors","Type XVI RTKs: DDR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) recept
or family","MLK subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Immune System","Developmental Biology","Signal Transduction",Metabolism,"Vesicle-mediated transport","Cell Cycle","Cellular responses to external stimuli","Extracellular ma
trix organization",Hemostasis,"Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Si
gnaling by NODAL","Cytokine Signaling in Immune system","Signaling by WNT","Metabolism of amino acids and derivatives","MAPK family signaling cascades","Signaling by GPCR","Biological oxidations","Sig
naling by Receptor Tyrosine Kinases","Membrane Trafficking",Mitotic,"Metabolism of lipids","Intracellular signaling by second messengers","Cellular responses to stress","Nervous system development","S
ignaling by Rho GTPases","Non-integrin membrane-ECM interactions","Signaling by TGFB family members","Platelet homeostasis","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Toll-like Receptor Cascades","Signaling by TGF-beta Receptor Complex in Cancer","Regulation of signaling by NODAL","HIV Infection","Interferon Signaling","Beta-catenin independent WNT sig
naling","Branched-chain amino acid catabolism","Signaling by WNT in cancer","MAPK1/MAPK3 signaling","GPCR downstream signalling","Phase I - Functionalization of compounds","Signaling by NTRKs","trans-
Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S tra
nsition","Cellular Senescence","Fc epsilon receptor (FCERI) signaling","Axon guidance","Uptake and actions of bacterial toxins","RHO GTPase Effectors","Fatty acid metabolism","Signaling by VEGF","Sign
aling by BMP","Sphingolipid metabolism","Nitric oxide stimulates guanylate cyclase","GPCR ligand binding","Melanin biosynthesis","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic e
vents","Toll Like Receptor 5 (TLR5) Cascade","Loss of Function of SMAD2/3 in Cancer","Host Interactions of HIV factors","Interferon alpha/beta signaling","Ca2+ pathway","Signaling by AMER1 mutants","R
AF/MAP kinase cascade","G alpha (q) signalling events","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","Golgi Associated Vesicle Biogenesis","G2/M Transition","Biosynthesis 
of DHA-derived SPMs","Leishmania parasite growth and survival","PTEN Regulation","G1 Phase","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization","EPH-Ephrin signaling","Uptake and 
function of anthrax toxins","Ethanol oxidation","Semaphorin interactions","RHO GTPases activate CIT","Arachidonic acid metabolism","Parasite infection","Biosynthesis of DPA-derived SPMs","Cell recruit
ment (pro-inflammatory response)","VEGF ligand-receptor interactions","Sphingolipid de novo biosynthesis","cGMP effects","Class A/1 (Rhodopsin-like receptors)","SARS-CoV-1 Genome Replication and Trans
cription","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","The role of Nef in HIV-1 replication and disease pathog
enesis","Regulation of IFNA signaling","Truncations of AMER1 destabilize the destruction complex","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK",Xenobiotics,"
Signalling to ERKs","Centrosome maturation","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of PTEN stability and activity","Cyclin D associ
ated events in G1","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Leishmania phagocyt
osis","Biosynthesis of DPAn-3 SPMs","Purinergic signaling in leishmaniasis infection","Biosynthesis of D-series resolvins","Signalling to ERK5","VEGF binds to VEGFR leading to receptor dimerization","
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion",Eicosanoids,"Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Replication of the SARS-CoV-1 genome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Neg
ative feedback regulation of MAPK pathway","EGFR Transactivation by Gastrin","CYP2E1 reactions","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the centroso
me","Prolonged ERK activation events","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","
Long-term potentiation","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derive
d protectins and resolvins","Adenosine P1 receptors","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","RSK activation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","Frs2-mediated ac
tivation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,ALOX5,CHEK1,CYP2D6,CYP3A4,GAK,GSK3B,LCK,MAPK1,MAPK10,MAPK11,MAPK12,MAPK14,MAPK8,MAPK9,PRKCA,RAF1,RIPK2,ROCK1,RPS6KB1,SGK1,SRC,TNF}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{B20358,152121-47-6,152121476,"SB 203580",SB-203580,SB203580,4-(4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl)pyridine,4(4(4fluorophenyl)2(4methylsulfinylphenyl)1Himidazol5yl)pyridine
,4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole,4(4Fluorophenyl)2(4methylsulfinylphenyl)5(4pyridyl)1Himidazole,"RWJ 64809",4-(4-Fluorophenyl)-2-(4-(methylsulfinyl)ph,4(4Fluor
ophenyl)2(4(methylsulfinyl)ph,"EMD 559389",S1076,EI-286,559389}

> <pdid>
PD004782

> <targets>
{"p38 MAPK","P38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{176155}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 O   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5933    6.0050    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  7  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 11  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 14  1  0
  9 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 20  1  0
 22 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13482

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
PIK-inhibitors

> <ctcr_id>
12241

> <supplier_cmpd_id>
T3190

> <smiles>
C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)N

> <pd_targets>
{PIK3CA}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by FGFR in disease","Signaling by FGFR1 in disease","FGFR1 mutant receptor activation","Signaling
 by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IKINHIBITOR,PIK-inhibitors,PIKinhibitors,371934-59-7,371934597,MDK34597,"3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-benzenamine","3(4(4Morpholinyl)pyrido(3',2':4,5)furo(3,2d)pyri
midin2yl)benzenamine","3-(8-Morpholin-4-yl-9-oxa-1,5,7-triaza-fluoren-6-yl)-phenylamine","3(8Morpholin4yl9oxa1,5,7triazafluoren6yl)phenylamine",CHEMBL537657,CHEMBL1188908,SCHEMBL10112594,"MDK34597 (PI
3K",T3190}

> <pdid>
PD087221

> <targets>
{PI3K}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{12997487}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 35 40  0  0  0  0            999 V2000
    2.5741  -12.0007    0.0000 N   0  0
    2.5766  -10.5007    0.0000 C   0  0
    1.2787   -9.7486    0.0000 C   0  0
    1.2811   -8.2486    0.0000 C   0  0
    2.5814   -7.5006    0.0000 C   0  0
    3.8792   -8.2528    0.0000 C   0  0
    3.8768   -9.7528    0.0000 N   0  0
    2.5868   -5.9998    0.0000 C   0  0
    1.2903   -5.2455    0.0000 O   0  0
    3.8888   -5.2533    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 N   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 19 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 33 34  1  0
 34 26  1  0
 34 35  2  0
 35 17  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13483

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
YM201636

> <ctcr_id>
1416

> <supplier_cmpd_id>
T6110

> <smiles>
Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3nc(N4CCOCC4)c5oc6ncccc6c5n3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{371942-69-7,371942697,YM201636,YM-201636,"YM 201636",PubChem22459,cc-386,cc386,MLS006010997,SCHEMBL258416,CHEMBL2178735,CHEBI:91382,AOB1919,DTXSID90433303,EX-A037,EXA037,QCR-257,QCR257,BCPP000006,HMS
3229J15,HMS3295C07,HMS3654F03,AMY23718,BCP01972,ABP000099,MFCD16038303,s1219,ZI,T6110,SY-YM201636,"EMD 524611",524611}

> <pdid>
PD011051

> <targets>
{PIKfyve,"PIKfyve Inhibitor",Autophagy,"Influenza Virus",PI3K}

> <classes>
{Anti-infection,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{9956222}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  7  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13484

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
3-Methyladenine

> <ctcr_id>
1181

> <supplier_cmpd_id>
T1879

> <smiles>
Cn1cnc(N)c2ncnc12

> <pd_targets>
{ADORA2A,ADORA1,ADORA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","Leishmania infection","GPCR ligand binding","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","A
nti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3Methyladenine,3-MA,3MA,S2767,T1879,SY-3MA,3-Methyladenine}

> <pdid>
PD006476

> <targets>
{PI3K,autophagy,Autophagy,"Endogenous Metabolite",Mitophagy}

> <classes>
{PI3K/Akt/mTOR,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1673}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    1.5076   -8.2513    0.0000 N   0  0
    2.3532   -7.0124    0.0000 C   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -6.4972   -0.7365    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -5.1903    1.5090    0.0000 C   0  0
   -5.1852    3.0090    0.0000 O   0  0
   -3.8939    0.7546    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 14 23  2  0
 23 10  1  0
 23 24  1  0
 24  8  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13485

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
TWS119

> <ctcr_id>
2176

> <supplier_cmpd_id>
T2166

> <smiles>
Nc1cccc(c1)c2[nH]c3ncnc(Oc4cccc(O)c4)c3c2

> <pd_targets>
{GSK3B,EIF2AK2,JUN,MYC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","CMGC protein kinase GSK family","Other protein kinase PEK family","Other protein kinase
 PKR"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Glycogen synthase kinase (GSK) family","Other protein kinases","GSK 
subfamily","PEK family","Other PEK family kinases"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","Influenza Infection","SARS-CoV-1 Infection","NS1 Mediated Effects on Host Pathways","SARS-CoV-1 Genome Replication and Transcription","Inhibition o
f PKR","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{GSK3B,JUN,MYC}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{TWS119,601514-19-6,601514196,TWS-119,"3-((6-(3-Aminophenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenol","3((6(3Aminophenyl)7Hpyrrolo(2,3d)pyrimidin4yl)oxy)phenol","TWS 119","GSK inhibitor XII","3-((6
-(3-AMINOPHENYL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)OXY)PHENOL","3((6(3AMINOPHENYL)7HPYRROLO(2,3D)PYRIMIDIN4YL)OXY)PHENOL",3-(6-(3-aminophenyl)-7H-pyrrolo(2,3(6(3aminophenyl)7Hpyrrolo(2,3-d)pyrimidin-4-y
loxy),3d)pyrimidin4yloxy),T2166,"EMD 361554",361554}

> <pdid>
PD010966

> <targets>
{Autophagy,GSK-3}

> <classes>
{Autophagy,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{9549289}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 C   0  0
   -1.6226   -6.5037    0.0000 C   0  0
   -3.1149   -6.3519    0.0000 O   0  0
   -1.0080   -7.8729    0.0000 N   0  0
   -1.8857   -9.0903    0.0000 C   0  0  2  0  0  0
   -3.3785   -8.9354    0.0000 C   0  0
   -3.9912   -7.5662    0.0000 O   0  0
   -1.2711  -10.4596    0.0000 C   0  0
   -2.1465  -11.6776    0.0000 C   0  0
   -1.5295  -13.0448    0.0000 C   0  0
   -0.0369  -13.1940    0.0000 C   0  0
    0.8386  -11.9761    0.0000 C   0  0
    0.2215  -10.6089    0.0000 C   0  0
    2.3311  -12.1253    0.0000 Cl  0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 10 14  1  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 30 32  1  0
 19 33  1  0
 33 34  1  0
 34 17  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13486

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
VX-11e

> <ctcr_id>
11476

> <supplier_cmpd_id>
T3166

> <smiles>
Cc1cnc(Nc2ccc(cc2Cl)F)nc1c1cc(C(=O)N[C@H](CO)c2cccc(c2)Cl)[nH]c1

> <pd_targets>
{CDK2,AURKA,MAPK1,FLT3,MAP3K7,MAPK10,ROCK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","TKL protein kinase group","AGC protein kinase group","CMGC protein kinase CDK family
","Other protein kinase AUR family","CMGC protein kinase MAPK family","Tyrosine protein kinase PDGFR family","TKL protein kinase MLK family","AGC protein kinase DMPK family","CMGC protein kinase CDC2 
subfamily","CMGC protein kinase ERK1","TKL protein kinase TAK1 subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","Cyclin-dependent kinase (CD
K) family","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","DMPK family","CDK1 subfamily","Aurora kinase (Aur) family","ERK 
subfamily","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","JNK subfamily","Rho kinase","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Signal Transduction","Developmental Biology","RNA Polymerase II Transcription","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nerv
ous system development","Generic Transcription Pathway","Toll-like Receptor Cascades","Signaling by Insulin receptor","Axon guidance","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) 
Cascade","Insulin receptor signalling cascade","Toll Like Receptor 4 (TLR4) Cascade","Semaphorin interactions","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","IRS-mediated 
signalling","MyD88-independent TLR4 cascade","Sema4D in semaphorin signaling","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","MAP kinase activati
on","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinase
s","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{MAPK1}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{X11,VX-11e,VX11e,896720-20-0,896720200,VTX-11e,VTX11e,"VX 11e",NCGC00242487,Vertex-11e,Vertex11e,"TCS ERK 11e","pyrimidylpyrrole, 11e",C24H20Cl2FN5O2,CHEMBL583042,GTPL9375,SCHEMBL15859235,"VX-11e(TCS
 ERK 11e)","VX11e(TCS ERK 11e)",BDBM35657,CHEBI:95049,AOB6429,DTXSID00469774,EX-A1570,EXA1570,4157AH,s7709,ZINC3588,T3166}

> <pdid>
PD012648

> <targets>
{ERK,"Aurora A",CDK2,ERK2,FLT3,GSK-3}

> <classes>
{"Cell Cycle/Checkpoint","PI3K/Akt/mTOR signaling",Angiogenesis,MAPK,Chromatin/Epigenetic,"Stem Cells","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11634725}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4965    5.2441    0.0000 O   0  0
   -5.1964    5.9922    0.0000 C   0  0
   -9.0998    0.7454    0.0000 O   0  0
  -10.3977    1.4972    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 13 19  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13487

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
Trimethoxystilbene

> <ctcr_id>
13095

> <supplier_cmpd_id>
T3330

> <smiles>
COc1ccc(cc1)/C=C/c1cc(cc(c1)OC)OC

> <pd_targets>
{TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,AHR,ESR1}

> <pathway_gtopdb>
{"Structural protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 3 group A memb
er 1"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Aryl hydrocarbon receptor","Nuclear hormone receptors","Steroid hormone receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Biological oxidations","RNA Polymerase II Transcription","Phase I - Functionalization of compounds","Generic Transcription Pathway","Cytochrome P450 - ar
ranged by substrate type","Transcriptional regulation by RUNX1","Endogenous sterols","RUNX1 regulates estrogen receptor mediated transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEMBL296411,"trans-3,4',5-trimethoxystilbene","trans3,4',5trimethoxystilbene",22255-22-7,22255227,"3,4',5-trimethoxy-trans-stilbene","3,4',5trimethoxytransstilbene","(E)-1,3-Dimethoxy-5-(4-methoxyst
yryl)benzene","(E)1,3Dimethoxy5(4methoxystyryl)benzene","(E)-3,5,4'-Trimethoxystilbene","(E)3,5,4'Trimethoxystilbene","3,4',5-trimethoxystilbene","3,4',5trimethoxystilbene","E-Resveratrol trimethyl et
her","EResveratrol trimethyl ether",TRIM,T3330,Trimethoxystilbene}

> <pdid>
PD021396

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5388063}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.8991   -0.7525    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    6.4978   -0.7562    0.0000 N   0  0
    6.4979    0.7438    0.0000 C   0  0
    7.7969    1.4938    0.0000 C   0  0
    9.0960    0.7438    0.0000 O   0  0
    9.0960   -0.7562    0.0000 C   0  0
    7.7969   -1.5062    0.0000 C   0  0  1  0  0  0
    7.7970   -3.0062    0.0000 C   0  0
    3.8947   -5.2537    0.0000 C   0  0
    5.1944   -6.0042    0.0000 S   0  0  1  0  0  0
    5.1952   -7.5042    0.0000 O   0  0
    6.4937   -6.7537    0.0000 N   0  0
    6.4932   -5.2539    0.0000 C   0  0
    3.2601   -6.4862    0.0000 C   0  0
    2.5100   -5.1872    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114    2.9665    0.0000 N   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  1  1
  4 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  2  0
 15 18  1  1
 14 19  1  0
 19 20  1  0
 20 14  1  0
  2 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 23 27  1  0
 27 28  1  0
 28 29  2  0
 29 22  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13488

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
AZD6738

> <ctcr_id>
11603

> <supplier_cmpd_id>
T3338

> <smiles>
n1c(nc(cc1N1CCOC[C@H]1C)C1([S@@](=O)(=N)C)CC1)c1c2c(ncc1)[nH]cc2

> <pd_targets>
{MTOR,ATR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","ATR subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Generic Transcription Pathway","Homology Directed Repair","Transcriptional Regulatio
n by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Regulation of TP53 Expression and D
egradation","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATR}

> <broad_moa>
{"ATR kinase inhibitor"}

> <synonyms>
{Ceralasertib,AZD6738,1352226-88-0,1352226880,AZD-6738,CHEMBL4285417,BDBM50468001,BDBM60432,"AZD 6738","Ceralasertib (USAN/INN)",GTPL9390,SCHEMBL9979340,EX-A1101,EXA1101,MFCD29472273,NSC780249,NSC8009
79,s7693,"1352226-88-0 (free base)","1352226880 (free base)",AKOS032960475,ZINC143911816,CCG,T3338}

> <pdid>
PD012266

> <targets>
{ATM/ATR,ATR}

> <classes>
{"DNA Damage/DNA Repair","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{54761306}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    7.7644  -10.5165    0.0000 C   0  0
    9.0672   -9.7731    0.0000 C   0  0
    9.0747   -8.2731    0.0000 C   0  0
    7.7795   -7.5165    0.0000 N   0  0
    6.4767   -8.2600    0.0000 C   0  0
    6.4691   -9.7600    0.0000 C   0  0
    7.7840   -6.0157    0.0000 C   0  0
    6.4870   -5.2605    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1884    2.6409    0.0000 C   0  0
   -4.6235    3.0601    0.0000 C   0  0
   -4.9782    4.5176    0.0000 C   0  0
   -3.8933    5.5535    0.0000 N   0  0
   -2.4538    5.1320    0.0000 C   0  0
   -2.0991    3.6745    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13489

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
Dorsomorphin dihydrochloride

> <ctcr_id>
1171

> <supplier_cmpd_id>
T6146

> <smiles>
C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5

> <pd_targets>
{EPHA2,FLT1,KDR,PRKAB1,ACVRL1,MKNK1,TGFBR1,BMPR1A,EIF2AK2,BMPR1B,RPS6KA1,ACVR1,BMP4,BMPR2,ACVR1B,TGFBR2,LCK,SRC,FLT3,PRKAA1,PRKAA2,PRKAB2,PRKAG1,PRKAG2,PRKAG3,YES1}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Protein kinase regulatory subunit","Metallo protease","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","Other protein kinase g
roup","AGC protein kinase group","Metallo protease MAM clan","Tyrosine protein kinase Eph family","Tyrosine protein kinase VEGFR family","TKL protein kinase STKR family","CAMK protein kinase MAPKAPK f
amily","Other protein kinase PEK family","AGC protein kinase RSK family","Metallo protease M12A subfamily","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","CAMK protein kin
ase CAMK1 family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase MNK subfamily","Other protein kinase PKR","AGC protein kinase RSK subfamily","TKL protein kinase STKR1","TKL protein k
inase STKR Type 2 subfamily","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","TK: Tyrosine kinase","
CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","Other protein kinases","RSK family","Receptor tyrosine kinases (RTKs)","AMPK subfamily","Recepto
r serine/threonine kinase (RSTK) family","MKN subfamily","PEK family","RSK subfamily","Non-receptor tyrosine kinases (nRTKs)","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular end
othelial growth factor) receptor family","Type I receptor serine/threonine kinases","Other PEK family kinases","Type II receptor serine/threonine kinases","Src family","Type III RTKs: PDGFR",CSFR,Kit,
"FLT3 receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Gene expression (Transcription)",Disease,"Immune System","Extracellular matrix organization","Nervous system development","Signaling by Receptor Tyrosin
e Kinases","RNA Polymerase II Transcription","Signaling by TGFB family members","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Innate Immune S
ystem","Elastic fibre formation","Signaling by NODAL","Axon guidance","Signaling by VEGF","Generic Transcription Pathway","Signaling by BMP","Signaling by FGFR","Signaling by TGF-beta Receptor Complex
 in Cancer","Influenza Infection","Toll-like Receptor Cascades","Molecules associated with elastic fibres","Regulation of signaling by NODAL","HIV Infection","Signaling by NTRKs","Signaling by Insulin
 receptor","Leishmania infection","EPH-Ephrin signaling","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Signaling by FGFR4","Loss of Function of SMAD2
/3 in Cancer","NS1 Mediated Effects on Host Pathways","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Leishm
ania parasite growth and survival","EPHA-mediated growth cone collapse","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","Negat
ive regulation of FGFR4 signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Inhibition of PKR","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease 
pathogenesis","Signalling to ERKs","IRS-mediated signalling","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity through Phosphorylation","Spry regulation
 of FGF signaling","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signalling to RAS","PI3K Cascade","FCGR3A-mediated IL10 syn
thesis","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","CREB phosphorylation"}

> <broad_targets>
{ACVR1,BMPR1A,BMPR1B,EPHA2,FKBP1A,FLT1,FLT3,KDR,LCK,MKNK1,PRKAA1,RPS6KA1,SRC}

> <broad_moa>
{"AMPK inhibitor"}

> <synonyms>
{dorsomorphin,866405-64-3,866405643,"866405 64 3","Compound C",BML-275,BML275,"BML 275","AMPK Inhibitor, Compound C","Dorsomorphin free base","866405-64-3 (free base)","866405643 (free base)","866405 
64 3 (free base)",UNII-10K52CIC1Z,UNII10K52CIC1Z,"UNII 10K52CIC1Z",10K52CIC1Z,CHEMBL478629,CHEBI:78510,MFCD08705402,"compound C dorsomorphin","Dorsomorphin (Compound C)",T6146,T1977,"EMD 171260","Dors
omorphin dihydrochloride",Dorsomorphin,171260,"COMPOUND C"}

> <pdid>
PD004294

> <targets>
{AMPK,Autophagy,"TGF-² Receptor"}

> <classes>
{Autophagy,Epigenetics,PI3K/Akt/mTOR,TGF-beta/Smad}

> <pubchem_cids>
{11524144}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 54 60  0  0  1  0            999 V2000
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0  1  0  0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    2.6015   -2.9986    0.0000 C   0  0  1  0  0  0
    3.9027   -3.7449    0.0000 C   0  0
    3.9070   -5.2449    0.0000 C   0  0
    2.6101   -5.9986    0.0000 C   0  0  1  0  0  0
    1.3089   -5.2523    0.0000 C   0  0  2  0  0  0
    1.3046   -3.7523    0.0000 C   0  0
    0.0259   -4.5364    0.0000 C   0  0
    1.3356   -2.2526    0.0000 C   0  0
    0.0120   -6.0060    0.0000 C   0  0
    0.0163   -7.5060    0.0000 C   0  0
    1.3175   -8.2523    0.0000 C   0  0  1  0  0  0
    1.3217   -9.7523    0.0000 C   0  0  2  0  0  0
    0.0248  -10.5060    0.0000 C   0  0
    0.0291  -12.0060    0.0000 C   0  0
    1.3303  -12.7522    0.0000 C   0  0  1  0  0  0
    1.3346  -14.2522    0.0000 C   0  0
    2.6357  -14.9985    0.0000 C   0  0
    3.9326  -14.2448    0.0000 C   0  0
    3.9283  -12.7448    0.0000 C   0  0
    2.6272  -11.9985    0.0000 C   0  0  1  0  0  0
    2.6229  -10.4985    0.0000 C   0  0
    3.9198   -9.7449    0.0000 C   0  0
    3.9155   -8.2449    0.0000 C   0  0
    2.6144   -7.4986    0.0000 C   0  0  2  0  0  0
    3.9015  -15.7445    0.0000 C   0  0
    5.2115  -13.4609    0.0000 C   0  0
    2.6322  -13.4989    0.0000 C   0  0
    3.4971  -12.9970    0.0000 O   0  0
    2.6347  -14.4989    0.0000 O   0  0
    0.4543   -9.2547    0.0000 C   0  0
    0.4529   -8.7547    0.0000 C   0  0
    3.9112   -6.7449    0.0000 C   0  0
    2.5923    1.5001    0.0000 O   0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4865    3.7630    0.0000 C   0  0  2  0  0  0
    6.4865    5.2630    0.0000 C   0  0  2  0  0  0
    7.7856    6.0130    0.0000 C   0  0  1  0  0  0
    9.0846    5.2630    0.0000 C   0  0  2  0  0  0
    9.0846    3.7630    0.0000 C   0  0
    7.7856    3.0130    0.0000 O   0  0
   10.3837    6.0130    0.0000 O   0  0
    7.7856    7.5130    0.0000 O   0  0
    5.1875    6.0130    0.0000 O   0  0
    7.7884    1.5181    0.0000 O   0  0
    7.8010   -1.4797    0.0000 C   0  0
    9.0964   -0.7233    0.0000 O   0  0
    7.8088   -2.9796    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 27 26  1  6
 27 22  1  0
 27 28  1  0
 28 19  1  0
 28 29  2  3
 29 30  1  0
 31 30  1  1
 31 11  1  0
 31 18  1  0
 25 32  1  0
 25 33  1  0
 22 34  1  1
 34 35  2  0
 34 36  1  0
 19 37  1  6
 18 38  1  1
 11 39  1  1
  4 40  1  1
  3 41  1  6
 42 41  1  6
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 42  1  0
 45 48  1  1
 44 49  1  6
 43 50  1  1
  2 51  1  1
  1 52  1  6
 52 53  2  0
 52 54  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13490

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
Momordin Ic

> <ctcr_id>
11874

> <supplier_cmpd_id>
T3410

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@@]3(CC[C@]4(CCC(C[C@H]4C3=CC[C@H]21)(C)C)C(=O)O)C)C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3410,"Momordin Ic"}

> <pdid>
PD056616

> <targets>
{MAPK,PI3K}

> <classes>
{MAPK,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{132399071}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.8211    4.6570    0.0000 C   0  0
   -6.3142    4.8094    0.0000 C   0  0
   -7.0437    6.1054    0.0000 S   0  0
   -8.5106    5.7921    0.0000 C   0  0
   -9.6263    6.7947    0.0000 O   0  0
   -8.6660    4.3002    0.0000 N   0  0
   -7.2950    3.6914    0.0000 C   0  0
   -6.9730    2.2264    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13491

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
CAY10505

> <ctcr_id>
7730

> <supplier_cmpd_id>
T6433

> <smiles>
Fc1ccc(cc1)c2oc(cc2)\C=C/3SC(=O)NC3=O

> <pd_targets>
{IGF1R}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events triggered by IGF1R"}

> <broad_targets>
{PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{CAY10505,1218777-13-9,1218777139,CHEMBL590022,"(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione","(E)5((5(4fluorophenyl)furan2yl)methylene)thiazolidine2,4dione",SCHEMBL13479680,S
CHEMBL16416080,DTXSID60360955,ZINC973810,328960-84-5,328960845,EX-A1070,EXA1070,ABP000112,BDBM50308349,STK201819,AKOS000409173,BCP9000494,CC,S2682}

> <pdid>
PD019843

> <targets>
{PI3K}

> <classes>
{}

> <pubchem_cids>
{1204893}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 C   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 O   0  0
   -5.2818   -4.3363    0.0000 C   0  0
   -6.7736   -4.1795    0.0000 C   0  0
   -7.3837   -2.8092    0.0000 C   0  0
   -6.5020   -1.5957    0.0000 C   0  0
   -7.6553   -5.3931    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    5.1937   -3.0093    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 17 20  1  0
 12 21  1  0
 21 22  2  0
 21 23  1  0
 23  8  1  0
  6 24  1  0
  2 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13492

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
Psoralidin

> <ctcr_id>
12598

> <supplier_cmpd_id>
T3399

> <smiles>
CC(=CCc1c(cc2c(c1)c1c(c3c(o1)cc(cc3)O)c(=O)o2)O)C

> <pd_targets>
{ALOX5AP}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein"}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","SARS-CoV Infections","Fatty acid metabolism","SARS-CoV-1 Infection","Arachidonic acid metabolism","SARS-CoV-1 Genome Replication and Tr
anscription","Synthesis of 5-eicosatetraenoic acids","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Psoralidin,18642-23-4,18642234,"3,9-Dihydroxy-2-prenylcoumestan","3,9Dihydroxy2prenylcoumestan",UNII-G16ZUQ069L,UNIIG16ZUQ069L,G16ZUQ069L,"3,9-dihydroxy-2-(3-methylbut-2-enyl)-(1)benzofuro(3,2-c)chro
men-6-one","3,9dihydroxy2(3methylbut2enyl)(1)benzofuro(3,2c)chromen6one","Psoralidin (5)",3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro(3,9Dihydroxy2(3methyl2butenyl)6Hbenzofuro(3,2-c)(1)benzopyra
n-6,2c)(1)benzopyran6,T3399}

> <pdid>
PD019002

> <targets>
{"Estrogen/progestogen Receptor",Akt,"Phosphatidylinositol 3-kinase",Bacterial,COX,Lipoxygenase,Notch,"Reactive Oxygen Species"}

> <classes>
{Cytoskeletal Signaling,Others,PI3K/Akt/mTOR signaling,Anti-infection,Immunology/Inflammation,Metabolic Enzyme/Protease,Neuronal Signaling,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{5281806}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

  7  5  0  0  0  0            999 V2000
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  5
    3.8993    0.7496    0.0000 Cl  0  0
    2.6000   -1.5000    0.0000 Cl  0  0
    6.4000    0.3750    0.0000 Na  0  3
  1  2  1  0
  2  3  2  0
  2  4  1  0
  1  5  1  0
  1  6  1  0
M  CHG  2   4  -1   7   1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13493

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
Sodium Dichloroacetate

> <ctcr_id>
11768

> <supplier_cmpd_id>
T3604

> <smiles>
C(C(=O)[O-])(Cl)Cl.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium dichloroacetate",2156-56-1,2156561,"sodium 2,2-dichloroacetate","sodium 2,2dichloroacetate","Dichloroacetic acid sodium salt","ACETIC ACID, DICHLORO-, SODIUM SALT","ACETIC ACID, DICHLORO, SOD
IUM SALT",Ceresine,DCA,MFCD00070489,CPC-211,CPC211,"Sodium dichloroacetate (USAN)",UNII-42932X67B5,UNII42932X67B5,NCGC00167845-0,NCGC001678450,T3604,Sodium Dichloroacetate,"Sodium Dichloroacetate"}

> <pdid>

> <targets>
{PDK,Apoptosis,NKCC,PDHK,Reactive Oxygen Species}

> <classes>
{PI3K/Akt/mTOR signaling,Apoptosis,Immunology/Inflammation,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{517326}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
    7.7794  -12.0187    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0  1  0  0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
  6 21  1  1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13494

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
6-Gingerol

> <ctcr_id>
11954

> <supplier_cmpd_id>
T3405

> <smiles>
CCCCC[C@@H](CC(=O)CCc1cc(c(cc1)O)OC)O

> <pd_targets>
{CYP2C19,CYP1A2,CYP2C9,CYP3A4,CYP2B6,CYP2C8,TRPA1,CYP2D6,CYP2A6,CYP2E1,HTR1A,LTA4H,TRPV1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Cytochrome P450","Voltage-gated ion channel","Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 fam
ily 3","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2B",
"Cytochrome P450 family 2D","Cytochrome P450 family 2A","Cytochrome P450 family 2E","Monoamine receptor","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytoc
hrome P450 2B6","Cytochrome P450 2C8","Cytochrome P450 2D6","Cytochrome P450 2A6","Cytochrome P450 2E1","Serotonin receptor",Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M
1 family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","Transient Receptor P
otential channels","5-Hydroxytryptamine receptors","Peptidases and proteinases","MA: Metallo (M) Peptidases","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Signal Transduction","Biological oxidations","Metabolism of lipids","Ion channel transport","Signaling by GPCR","Phase I - Functionalization of compounds","
Biosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","TRP chann
els","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Biosynthesis of maresins","Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
","Biosynthesis of maresin-like SPMs","Serotonin receptors","Biosynthesis of aspirin-triggered D-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GINGERO,6-Gingerol,6Gingerol,23513-14-6,23513146,gingerol,(6)-Gingerol,(6)Gingerol,(S)-(+)-(6)Gingerol,(S)(+)(6)Gingerol,(S)-(6)-Gingerol,(S)(6)Gingerol,"3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyp
henyl)-, (5S)-","3Decanone, 5hydroxy1(4hydroxy3methoxyphenyl), (5S)",(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one,(S)5Hydroxy1(4hydroxy3methoxyphenyl)decan3one,(5S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3,(5S)5hydroxy1(4hydroxy3methoxyphenyl)3,T3405}

> <pdid>
PD015674

> <targets>
{AMPK,Apoptosis}

> <classes>
{Apoptosis,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{442793}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 52 59  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    2.7117   -1.2364    0.0000 C   0  0  2  0  0  0
    3.6011   -0.0285    0.0000 C   0  0  2  0  0  0
    2.7272    1.1906    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -6.4944    3.7531    0.0000 O   0  0
   -6.4923    5.2539    0.0000 C   0  0  1  0  0  0
   -7.7887    6.0085    0.0000 C   0  0  2  0  0  0
   -9.0895    5.2599    0.0000 O   0  0
  -10.3887    6.0114    0.0000 C   0  0  2  0  0  0
  -10.3845    7.5114    0.0000 O   0  0
  -11.6814    8.2651    0.0000 C   0  0  1  0  0  0
  -12.9826    7.5188    0.0000 C   0  0  2  0  0  0
  -12.9868    6.0188    0.0000 C   0  0  1  0  0  0
  -11.6899    5.2651    0.0000 C   0  0  1  0  0  0
  -11.6942    3.7651    0.0000 O   0  0
  -14.2880    5.2725    0.0000 O   0  0
  -14.2795    8.2725    0.0000 O   0  0
  -11.6741    9.7659    0.0000 C   0  0
  -10.3718   10.5104    0.0000 O   0  0
   -7.7835    7.5085    0.0000 C   0  0  2  0  0  0
   -6.4819    8.2540    0.0000 C   0  0  2  0  0  0
   -5.1854    7.4995    0.0000 C   0  0  2  0  0  0
   -5.1906    5.9995    0.0000 O   0  0
   -3.8846    8.2481    0.0000 C   0  0
   -3.8816    9.7481    0.0000 O   0  0
   -6.4767    9.7540    0.0000 O   0  0
   -9.0799    8.2629    0.0000 O   0  0
   -2.5981    0.0000    0.0000 C   0  0
    5.0231   -0.4999    0.0000 O   0  0
    5.0135   -1.9998    0.0000 C   0  0  1  0  0  0
    3.5840   -2.4542    0.0000 C   0  0  1  0  0  0
    3.1111   -3.8777    0.0000 C   0  0
    6.5326   -2.2868    0.0000 C   0  0
    7.0977   -3.6763    0.0000 C   0  0
    6.1770   -4.8604    0.0000 C   0  0  2  0  0  0
    4.6911   -4.6551    0.0000 C   0  0
    4.1260   -3.2657    0.0000 O   0  0
    6.7422   -6.2499    0.0000 C   0  0
    1.4428   -2.2431    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  6
  5  4  1  6
  5  1  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9  1  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  1
 12 13  1  0
  6 13  1  1
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 10  1  0
 15 18  1  6
 19 18  1  1
 19 20  1  0
 20 21  1  6
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 27 28  1  6
 26 29  1  1
 25 30  1  6
 24 31  1  1
 31 32  1  0
 20 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 19  1  0
 35 37  1  1
 37 38  1  0
 34 39  1  1
 33 40  1  1
 10 41  1  6
  3 42  1  0
 43 42  1  1
 43 44  1  0
 44  2  1  0
 44 45  1  1
 43 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 43  1  0
 48 51  1  1
  1 52  1  6
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13495

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
Timosaponin AIII

> <ctcr_id>
12408

> <supplier_cmpd_id>
T3395

> <smiles>
[C@]12([C@@H]3[C@H](C[C@H]1[C@H]1[C@H](CC2)[C@@]2([C@H](CC1)C[C@H](CC2)O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)[C@H]([C@H]([C@H](O1)CO)O)O)C)O[C@@]1([C@H]3C)CC[C@H](CO1)C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Ys-II,YsII,"Timosaponin A3",41059-79-4,41059794,CHEBI:66497,AKOS037514867,ZINC238809206,Q27135101,"Smilagenin 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranoside","Smilagenin 3ObetaDglucopyrano
syl(1>2)betaDgalactopyranoside",T3395,"Timosaponin AIII"}

> <pdid>
PD056598

> <targets>
{mTORC1}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{10628815}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
   -3.8109  -11.3760    0.0000 C   0  0
   -2.3446  -11.6924    0.0000 C   0  0
   -1.8859  -13.1205    0.0000 O   0  0
   -1.3373  -10.5798    0.0000 O   0  0
   -1.7962   -9.1509    0.0000 C   0  0
   -2.8035  -10.2623    0.0000 C   0  0
   -3.2625   -8.8345    0.0000 C   0  0
   -0.7889   -8.0383    0.0000 C   0  0
   -1.2479   -6.6094    0.0000 C   0  0
   -0.2405   -5.4968    0.0000 C   0  0
    1.2257   -5.8132    0.0000 O   0  0
   -0.6995   -4.0679    0.0000 C   0  0  2  0  0  0
   -2.1657   -3.7515    0.0000 C   0  0
    0.7668   -4.3843    0.0000 O   0  0
    0.3061   -2.9572    0.0000 C   0  0  1  0  0  0
    1.7979   -3.1140    0.0000 C   0  0  2  0  0  0
    2.5479   -4.4130    0.0000 O   0  0
    2.4080   -1.7436    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.6686   -0.1382    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0  2  0  0  0
   -2.5981    6.0000    0.0000 O   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
    1.2990    5.2500    0.0000 C   0  0
    2.5800    4.4696    0.0000 C   0  0
    1.2638    6.7496    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2146   -2.3802    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  6
 15 12  1  6
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  6
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  2  0
 29 31  1  0
 31 24  1  0
 31 32  1  0
 31 33  1  0
 25 34  1  0
 34 21  1  0
 34 35  1  6
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 15  1  0
 39 19  1  0
 39 40  1  6
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13496

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
Cucurbitacin B

> <ctcr_id>
5521

> <supplier_cmpd_id>
T3404

> <smiles>
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Cucurbitacin B",6199-67-3,6199673,"Datisca principle B","Datiscn Principle B","1,2-Dihydro-alpha-elaterin","1,2Dihydroalphaelaterin",UNII-0115W5MABF,UNII0115W5MABF,0115W5MABF,CHEBI:3941,"CUCURBITACI
N R - DATISCA PRINCIPLE B","CUCURBITACIN R  DATISCA PRINCIPLE B",NSC49451,Cucurbitacin-B,CucurbitacinB,"Cucurbitacin B hydrate","Cucurbitacine (B)","NSC 49451","CUCURBITACIN B"}

> <pdid>
PD011564

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Integrin}

> <classes>
{Apoptosis,Autophagy,Cytoskeleton,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5281316}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    4.0551   -4.4171    0.0000 F   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8073   -5.7196    0.0000 F   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1743   -3.8808    0.0000 N   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 N   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 N   0  0
   -0.4655   -8.0446    0.0000 N   0  0
   -1.3806   -9.2332    0.0000 C   0  0
   -0.8088  -10.6200    0.0000 C   0  0
    0.6780  -10.8182    0.0000 O   0  0
    1.5931   -9.6297    0.0000 C   0  0
    1.0214   -8.2429    0.0000 C   0  0
   -4.5786   -4.8672    0.0000 N   0  0
   -5.1504   -3.4804    0.0000 C   0  0
   -6.6373   -3.2821    0.0000 C   0  0
   -7.5524   -4.4706    0.0000 O   0  0
   -6.9807   -5.8574    0.0000 C   0  0
   -5.4938   -6.0557    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  4  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 15 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13497

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
ZSTK474

> <ctcr_id>
2959

> <supplier_cmpd_id>
T6168

> <smiles>
FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5

> <pd_targets>
{PIK3CB,PIK3CG,PIK3CA,PIK3C2B,PIK3CD,PIK3R1,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' 
kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Diseases of signal transduction by growth f
actor receptors and second messengers","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease",
"Generic Transcription Pathway","Signaling by Interleukins","Insulin receptor signalling cascade","PI Metabolism","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53",Interleukin-3,"In
terleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Interleukin receptor SHC signal
ing","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{ZSTK474,475110-96-4,475110964,ZSTK-474,"ZSTK 474",TCMDC-137004,TCMDC137004,UNII-K0068GK39A,UNIIK0068GK39A,"2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine","2(2Difluoromethyl
benzimidazol1yl)4,6bis(morpholino)1,3,5triazine",CHEMBL586702,CHEBI:90545,K0068GK39A,2-(2-difluoromethylbenzimidazol-1-yl)-4,2(2difluoromethylbenzimidazol1yl)4,6-dimorpholino-1,6dimorpholino1,3,5-tria
z,5triaz,T6168,S1072}

> <pdid>
PD003388

> <targets>
{PI3K,Autophagy}

> <classes>
{Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{11647372}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   18.1999   -1.5000    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   16.9009   -0.7502    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8989   -0.7502    0.0000 C   0  0
    2.6000   -1.5000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7991    0.0004    0.0000 O   0  0
   19.4998    2.2500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
  2 22  1  0
 22 23  2  0
 22 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13498

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
ETC-1002

> <ctcr_id>
11772

> <supplier_cmpd_id>
T3625

> <smiles>
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O

> <pd_targets>
{ACLY}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Fatty acyl-CoA biosynthesis"}

> <broad_targets>
{ACLY}

> <broad_moa>
{"AMPK inhibitor"}

> <synonyms>
{TC100,"TC 100","bempedoic acid",ETC-1002,ETC1002,"ETC 1002",738606-46-7,738606467,"738606 46 7","8-Hydroxy-2,2,14,14-tetramethylpentadecanedioic acid","8Hydroxy2,2,14,14tetramethylpentadecanedioic ac
id","8 Hydroxy 2,2,14,14 tetramethylpentadecanedioic acid",Nexletol,ESP-55016,ESP55016,"ESP 55016",Nilemdo,UNII-1EJ6Z6Q368,UNII1EJ6Z6Q368,"UNII 1EJ6Z6Q368",1EJ6Z6Q368,ETC-1002;ESP-55016,ETC1002;ESP550
16,"ETC 1002;ESP 55016",Bempedoate,"Bempedoic acid (USAN:INN)",bempedoic-,bempedoic,T3625}

> <pdid>
PD050470

> <targets>
{AMPK,LDL,ACL,"ATP Citrate Lyase"}

> <classes>
{Neuroscience,Epigenetics,Metabolic Enzyme/Protease,PI3K/Akt/mTOR}

> <pubchem_cids>
{10472693}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21  1  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13499

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
SC66

> <ctcr_id>
12609

> <supplier_cmpd_id>
T3132

> <smiles>
C1C/C(=C\c2ccncc2)/C(=O)/C(=C/c2ccncc2)/C1

> <pd_targets>
{HSP90AA1,RORC,DDIT3,XBP1,TPR,TGR,HTT,MAPT,AMPC,MAPK1,FFP}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor","Unclassified protein",Enzyme,"Nuclear receptor",Oxidoreductase,Hydrolase,Kinase,Transferase,"Nuclear hormone receptor subfamily 1","Protein Kinase","
Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,"Heat shock proteins","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Metabolism of proteins","Neuronal System","Immune System",Mitotic,"RNA Polymerase II Transcription","Unfolded Protein Response (UPR)","Transmission acr
oss Chemical Synapses","Innate Immune System","Mitotic G2-G2/M phases","Generic Transcription Pathway","ATF6 (ATF6-alpha) activates chaperones","Neurotransmitter receptors and postsynaptic signal tran
smission","Toll-like Receptor Cascades","G2/M Transition","Transcriptional regulation by RUNX3","FOXO-mediated transcription","ATF6 (ATF6-alpha) activates chaperone genes","Transcriptional Regulation 
by MECP2","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Centrosome maturation","RUNX3 Regulates Immune Response and Cell Migration","FOXO-mediated trans
cription of cell death genes","Regulation of MECP2 expression and activity","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Loss of proteins required for interphas
e microtubule organization from the centrosome","Activation of AMPK downstream of NMDARs","MAP kinase activation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP k
inases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SC66,871361-88-5,871361885,"(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone","(2E,6E)2,6bis(pyridin4ylmethylene)cyclohexanone","SC 66",MLS000729928,"(2E,6E)-2,6-Bis(4-pyridinylmethylene)cyclohexa
none","(2E,6E)2,6Bis(4pyridinylmethylene)cyclohexanone","(2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexan-1-one","(2E,6E)2,6bis(pyridin4ylmethylidene)cyclohexan1one",SMR000308205,(2E,6E)-2,6E)2,6-bi
s(4-pyridylmethyle,6bis(4pyridylmethyle,T3132}

> <pdid>
PD016579

> <targets>
{Akt}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{6018993}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.4469   -5.2297    0.0000 C   0  0
    0.3298   -6.2307    0.0000 O   0  0
    2.9152   -5.5365    0.0000 N   0  0
    3.6607   -4.2349    0.0000 C   0  0
    2.6532   -3.1236    0.0000 S   0  0
    5.1519   -4.0729    0.0000 N   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 12 14  1  0
  3 15  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13500

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
Mirin

> <ctcr_id>
11607

> <supplier_cmpd_id>
T3134

> <smiles>
c1cc(ccc1/C=C\1/C(=O)N=C(S1)N)O

> <pd_targets>
{MRE11}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{MRE11A}

> <broad_moa>
{"MRE11A exonuclease inhibitor"}

> <synonyms>
{1198097-97-0,1198097970,"Z-5-(4-Hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one","Z5(4Hydroxybenzylidene)2imino1,3thiazolidin4one",CHEMBL570841,"Mrn-atm pathway inhibitor,mirin","Mrnatm pathway inh
ibitor,mirin","(5Z)-2-AMINO-5-((4-HYDROXYPHENYL)METHYLIDENE)-1,3-THIAZOL-4-ONE","(5Z)2AMINO5((4HYDROXYPHENYL)METHYLIDENE)1,3THIAZOL4ONE",SCHEMBL21296287,CCG-208657,CCG208657,CS-5497,CS5497,AC-32950,AC
32950,AS-55824,AS55824,HY-19959,HY19959,T3134,Mirin}

> <pdid>
PD021471

> <targets>
{MRN}

> <classes>
{"DNA Damage/DNA Repair","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{137319711}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 31  0  0  0  0            999 V2000
    5.6590    1.8298    0.0000 C   0  0
    7.1272    2.1369    0.0000 C   0  0
    7.5954    3.5619    0.0000 O   0  0
    6.5954    4.6799    0.0000 C   0  0
    5.1271    4.3729    0.0000 C   0  0
    4.6588    2.9478    0.0000 N   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.1885    3.7539    0.0000 O   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.3152    3.9975    0.0000 O   0  0
   -5.7073    5.3688    0.0000 C   0  0
   -4.2152    5.2143    0.0000 N   0  0
   -6.4593    6.6666    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13501

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
Serabelisib

> <ctcr_id>
12202

> <supplier_cmpd_id>
T3153

> <smiles>
C1COCCN1C(=O)c1cnc2n1cc(cc2)c1cc2c(cc1)oc(n2)N

> <pd_targets>
{MTOR,PIK3CG,PIK3CD,PIK3CB,PIK3CA}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfami
ly"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Immune System","Signal Transduction",Disease,"RNA Polymerase II Transcription","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by
 Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Phospholipid metabolism","Signaling by Interleukins","Si
gnaling by Insulin receptor","Signaling by FGFR in disease","Transcriptional Regulation by TP53","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade
","Signaling by FGFR1 in disease","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRS-mediated signalling","FGFR1 mutant receptor activat
ion","Regulation of TP53 Expression and Degradation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CA}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{Serabelisib,1268454-23-4,1268454234,MLN1117,MLN-1117,INK-1117,INK1117,TAK-117,TAK117,AGN-PC-0DB6FL,AGNPC0DB6FL,UNII-43J9Q56T3W,UNII43J9Q56T3W,43J9Q56T3W,"Serabelisib (INN)","MLN1117 (INK1117)","Serab
elisib (INK-1117,MLN-1117,TAK-117)","Serabelisib (INK1117,MLN1117,TAK117)",GTPL8969,CHEMBL3935857,SCHEMBL12928418,BDBM119531,BCP,T3153}

> <pdid>
PD016972

> <targets>
{PI3K,mTOR,p110¦Á,p110¦Â,p110¦Ã,p110¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{70798655}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
    3.8934   -5.2570    0.0000 C   0  0  2  0  0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
   -5.2141   -7.4949    0.0000 Cl  0  0
   -2.6108   -6.0040    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    7.7905   -6.0071    0.0000 C   0  0
    2.5944   -6.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 16 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 23 27  1  0
 22 28  1  0
 11 29  1  0
 29 30  1  0
  3 31  1  0
  1 32  1  1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13502

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
AZD3759

> <ctcr_id>
11537

> <supplier_cmpd_id>
T3659

> <smiles>
[C@H]1(CN(CCN1C(=O)Oc1c(cc2c(c1)c(ncn2)Nc1c(c(ccc1)Cl)F)OC)C)C

> <pd_targets>
{SRC,EGFR,ERBB2,ERBB3,ERBB4,KCNH2,KDR,DRD2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Kinase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Protein Kinase","Potassium channels","Small molecule receptor (family A GPCR)","TK p
rotein kinase group","Voltage-gated potassium channel","Monoamine receptor","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","Dopamine 
receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","G protein-coupled receptors","Receptor kinases","Potassium channels","Dopamine receptors","TK: Tyrosine kinase","Voltage-g
ated potassium channels","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs:
 ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Signaling by Receptor Tyrosine Kinases","Cardiac conduction","Signaling by GPCR","Signaling by NTRKs","Phase 3 - rapid repolarisation","Signaling by VEGF",
"GPCR ligand binding","GPCR downstream signalling","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Signalling to ERKs","VEGFR
2 mediated cell proliferation","Amine ligand-binding receptors","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to RAS","Dopamine receptors","EGFR Transactivation by Gastrin","p38MAPK e
vents"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZD3759,1626387-80-1,1626387801,AZD-3759,zorifertinib,"AZD 3759",UNII-67SX9H68W2,UNII67SX9H68W2,CHEMBL3623290,67SX9H68W2,SCHEMBL16010006,GTPL10456,EX-A720,EXA720,AMY10302,BDBM50123453,MFCD29058564,NS
C788121,NSC800978,s7971,AKOS027327321,ZINC221149242,CCG-269329,CCG269329,CS-5029,CS5029,DB14795,NS,T4249,T3659,"AZD3759 hydrochloride"}

> <pdid>
PD012284

> <targets>
{EGFR,"EGFR (exon 19Del)","EGFR (L858R)","EGFR (WT)"}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{78209992}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 10 11  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  3  1  0
  7 10  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13503

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
Sesamol

> <ctcr_id>
13617

> <supplier_cmpd_id>
T3676

> <smiles>
C1Oc2c(O1)cc(cc2)O

> <pd_targets>
{CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Sesamol,"1,3-Benzodioxol-5-ol","1,3Benzodioxol5ol",533-31-3,533313,"3,4-(Methylenedioxy)phenol","3,4(Methylenedioxy)phenol","3,4-Methylenedioxyphenol","3,4Methylenedioxyphenol","5-Hydroxy-1,3-benzodi
oxole","5Hydroxy1,3benzodioxole","3,4-Methylendioxyphenol","3,4Methylendioxyphenol","Methylene ether of oxyhydroquinone","2H-1,3-Benzodioxol-5-Ol","2H1,3Benzodioxol5Ol",MFCD00005827,Phenol,3,4-(methyl
,4(methyl,T3676}

> <pdid>
PD000473

> <targets>
{AMPK,Apoptosis}

> <classes>
{PI3K/Akt/mTOR signaling,Apoptosis}

> <pubchem_cids>
{68289}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    3.1882    2.6402    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 N   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 O   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.4995    3.7442    0.0000 N   0  0
    5.1047   -0.0031    0.0000 C   0  0
    5.8532   -1.3039    0.0000 N   0  0
    7.3533   -1.3092    0.0000 C   0  0
    8.0987   -2.6109    0.0000 C   0  0
    7.3442   -3.9073    0.0000 N   0  0
    5.8442   -3.9021    0.0000 C   0  0
    5.0988   -2.6004    0.0000 C   0  0
    8.0901   -5.2096    0.0000 S   0  0
    9.5901   -5.2158    0.0000 O   0  0
    7.3352   -6.5058    0.0000 O   0  0
    8.8350   -6.5116    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
  3 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 28 31  1  0
 31 32  2  0
 31 33  2  0
 31 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13504

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
GNE 477

> <ctcr_id>
12168

> <supplier_cmpd_id>
T3692

> <smiles>
Cc1c(sc2c1nc(nc2N1CCOCC1)c1cnc(nc1)N)CN1CCN(CC1)S(=O)(=O)C

> <pd_targets>
{MTOR,PIK3CG,PIK3CA,PIK3CB,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfami
ly"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Signal Transduction","Immune System","RNA Polymerase II Transcription","Metabolism of lipids","Diseases of signal transduction by growth factor r
eceptors and second messengers","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Generic Transcription Pathway","Phospholipid metabolism","Signaling by FGFR in disease",
"Signaling by Insulin receptor","Signaling by Interleukins","Transcriptional Regulation by TP53","PI Metabolism","Signaling by FGFR1 in disease","Insulin receptor signalling cascade",Interleukin-3,"In
terleukin-5 and GM-CSF signaling","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signal
ing","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GNE-477,GNE477,1032754-81-6,1032754816,"GNE 477",UNII-0E8LA9H0RY,UNII0E8LA9H0RY,0E8LA9H0RY,CHEMBL1091978,C21H28N8O3S2,SCHEMBL1180950,SYN1148,AOB87744,BCP07720,EX-A2063,EXA2063,3701AH,BDBM50315907,s65
16,ZINC43202843,AKOS027420931,CS-3359,CS3359,NCGC00345851-01,NCGC0034585101,NCGC00345851-04,NCGC0034585104,AC-31513,AC31513,AS-16287,AS16287,T3692}

> <pdid>
PD056785

> <targets>
{mTOR,PI3K¦Á,PI3K}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{25207689}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    4.5650    3.1911    0.0000 C   0  0
    5.8390    2.3993    0.0000 O   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.2051    3.7579    0.0000 C   0  0
    2.9890    5.0368    0.0000 C   0  0
    2.4151    6.4227    0.0000 O   0  0
    4.4475    4.6864    0.0000 N   0  0
    0.7099    3.6291    0.0000 C   0  0
   -0.0297    2.3302    0.0000 C   0  0
   -1.5297    2.3222    0.0000 C   0  0
   -2.2866    3.6172    0.0000 C   0  0
   -1.5436    4.9202    0.0000 C   0  0
   -0.0436    4.9282    0.0000 C   0  0
   -2.2728    1.0192    0.0000 N   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.1882   -2.6401    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  1  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 10 14  1  0
  3 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 17 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13505

> <plate>
PLATE 002

> <well>
F5

> <supplier_cmpd_name>
CP21R7

> <ctcr_id>
11911

> <supplier_cmpd_id>
T3684

> <smiles>
C1(=O)C(=C(C(=O)N1)c1cc(ccc1)N)c1cn(c2c1cccc2)C

> <pd_targets>
{PRKCB,PRKCG,GSK3B,PRKCA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CMGC protein kinase group","AGC protein kinase PKC family","CMGC protein kinase GSK family","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Protein kinase C (PKC) family","Glycogen synthase kinase (GSK) family","Alpha 
subfamily","GSK subfamily","Delta subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Disease,"Signal Transduction",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Signaling by GPCR","M Phase","Neurotransmitter receptors and postsyn
aptic signal transmission","SARS-CoV Infections","GPCR downstream signalling","Mitotic Prophase","Glutamate binding","activation of AMPA receptors and synaptic plasticity","SARS-CoV-1 Infection","G al
pha (i) signalling events","Nuclear Envelope Breakdown","Trafficking of AMPA receptors","SARS-CoV-1 Genome Replication and Transcription","Visual phototransduction","Depolymerisation of the Nuclear La
mina","Trafficking of GluR2-containing AMPA receptors","Replication of the SARS-CoV-1 genome","The phototransduction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CP21R7,125314-13-8,125314138,CP21R7(CP21),"3-(3-aminophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione","3(3aminophenyl)4(1methyl1Hindol3yl)1Hpyrrole2,5dione","3-(3-aminophenyl)-4-(1-methylindo
l-3-yl)pyrrole-2,5-dione","3(3aminophenyl)4(1methylindol3yl)pyrrole2,5dione","3-(3-Aminophenyl)-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione","3(3Aminophenyl)4(1methyl3indolyl)1Hpyrrole2,5dione",1H-Pyr
role-2,1HPyrrole2,5-dione,5dione,3,T3684}

> <pdid>
PD043933

> <targets>
{GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{5327711}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    0.9513   -6.4982    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    3.3372   -5.2929    0.0000 S   0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2311   -3.4009    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
   -0.0436   -3.3826    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14  2  1  0
 14 15  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13506

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
TDZD-8

> <ctcr_id>
3784

> <supplier_cmpd_id>
T6187

> <smiles>
CN1SC(=O)N(Cc2ccccc2)C1=O

> <pd_targets>
{GSK3A,GSK3B,RORC,FFP,REP,CCNB1,CCNB2,CCNB3,CDK1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor",Transferase,"Protein Kinase","Nuclear hormone receptor subfamily 1","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F",
"CMGC protein kinase GSK family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Anti-infective targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphan
s","Viral protein targets","Glycogen synthase kinase (GSK) family","Coronavirus (CoV) proteins","GSK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","SARS-CoV-1 Infection","Transcriptional regulati
on by RUNX3","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-2 Genome Replication and Transcription","Replicatio
n of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DZD,TDZD-8,TDZD8,327036-89-5,327036895,"4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione","4Benzyl2methyl1,2,4thiadiazolidine3,5dione","GSK-3beta Inhibitor I","GSK3beta Inhibitor I","TDZD 8","1,2,4-
Thiadiazolidine-3,5-dione, 2-methyl-4-(phenylmethyl)-","1,2,4Thiadiazolidine3,5dione, 2methyl4(phenylmethyl)","NP 01139",MFCD04973552,"GSK-3beta Inhibitor I;NP 01139","GSK3beta Inhibitor I;NP 01139",t
hiadiazolidinone-8,thiadiazolidinone8,1,2,T6187,"EMD 361540",361540}

> <pdid>
PD013035

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{4124851}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0102   -7.4994    0.0000 C   0  0
    1.3118   -8.2449    0.0000 C   0  0
    1.3170   -9.7449    0.0000 F   0  0
    2.6082   -7.4904    0.0000 C   0  0
    3.9099   -8.2359    0.0000 O   0  0
    2.6030   -5.9904    0.0000 C   0  0
    3.8995   -5.2359    0.0000 F   0  0
    1.3014   -5.2449    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 26 18  1  0
 16 27  1  0
 27 28  2  0
 28  6  1  0
 28 13  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13507

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
BI-D1870

> <ctcr_id>
4314

> <supplier_cmpd_id>
T6171

> <smiles>
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12

> <pd_targets>
{RPS6KA6,CSNK1A1,RPS6KA1,RPS6KA2,RPS6KA3,JAK2,VRK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CK1 protein kinase group","TK protein kinase group","AGC protein kinase RSK family","CK1 protein kinase CK1 family","Tyrosine protein kinase
 JakA family","CK1 protein kinase VRK family","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","Receptor kinases","RSK family","Casein kinase 1 (CK1) family","TK: Tyro
sine kinase","Vaccina related kinase (VRK) family","RSK subfamily","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Neuronal System",Disease,"Immune System","Cell Cycle","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System
",Mitotic,"Neurotransmitter receptors and postsynaptic signal transmission","Signaling by WNT in cancer","Toll-like Receptor Cascades","Mitotic G1 phase and G1/S transition","M Phase","Activation of N
MDA receptors and postsynaptic events","Signaling by AMER1 mutants","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Mitotic Metaphase and Anaphase","Post NMDA receptor activation events","Truncation
s of AMER1 destabilize the destruction complex","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","Mitotic Anaphase","CREB1 phosphorylation through NMDA receptor-mediated
 activation of RAS signaling","MAP kinase activation","Nuclear Envelope (NE) Reassembly","RSK activation","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Re
formation","CREB phosphorylation"}

> <broad_targets>
{RPS6KA1,RPS6KA2,RPS6KA3,RPS6KA6}

> <broad_moa>
{"ribosomal protein inhibitor"}

> <synonyms>
{BI-D1870,BID1870,501437-28-1,501437281,C19H23F2N5O2,cc-687,cc687,CHEMBL573107,GTPL8038,SCHEMBL13881333,BDBM25017,DTXSID40648506,SYN1020,BCPP000343,HMS3244C11,HMS3244C12,HMS3244D11,HMS3651D17,HMS3674C
15,BCP01977,EX-A2471,EXA2471,ABP000282,BI-D-1870,MFCD11223662,NSC747342,s2,T6171,SY-BI-D1870,S2843}

> <pdid>
PD003280

> <targets>
{RSK,"S6 Kinase"}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{25023738}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 42 49  0  0  0  0            999 V2000
    7.7747   -7.5171    0.0000 C   0  0
    7.7822   -6.0171    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    5.1842   -6.0040    0.0000 C   0  0
    5.1766   -7.5040    0.0000 C   0  0
    6.4719   -8.2606    0.0000 C   0  0
    6.4643   -9.7613    0.0000 N   0  0
    5.2484  -10.6165    0.0000 C   0  0
    3.7823  -10.2994    0.0000 C   0  0
    2.7746  -11.4104    0.0000 C   0  0
    3.2330  -12.8387    0.0000 C   0  0
    4.6991  -13.1559    0.0000 C   0  0
    5.7068  -12.0448    0.0000 C   0  0
    7.2060  -12.0504    0.0000 N   0  0
    7.6747  -10.6255    0.0000 C   0  0
    9.1002  -10.1587    0.0000 O   0  0
    6.4915   -3.7597    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -3.7124    4.0029    0.0000 N   0  0
   -3.1023    5.3733    0.0000 C   0  0
   -1.6105    5.2165    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  7  1  0
 15 16  2  0
  3 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  2  0
 33 24  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
 29 40  1  0
 40 41  1  0
 41 42  2  0
 42 28  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13508

> <plate>
PLATE 002

> <well>
F8

> <supplier_cmpd_name>
AKT inhibitor VIII

> <ctcr_id>
11960

> <supplier_cmpd_id>
T3346

> <smiles>
C1CN(CCC1n1c2ccccc2[nH]c1=O)Cc1ccc(cc1)c1nc2cc3c(cc2nc1c1ccccc1)[nH]cn3

> <pd_targets>
{AKT2,AKT3,AKT1,ACP1}

> <pathway_gtopdb>
{Enzyme,Kinase,Phosphatase,"Protein Kinase","Protein Phosphatase","AGC protein kinase group","Tyrosine protein phosphatase","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by Insulin receptor","Generic Transcription Pathway","Ins
ulin receptor signalling cascade","Transcriptional Regulation by TP53","IRS-mediated signalling","Regulation of TP53 Activity","PI3K Cascade","Regulation of TP53 Expression and Degradation","PKB-media
ted events","Regulation of TP53 Degradation","PDE3B signalling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Akt inhibitor VIII",Akti-1/2,Akti1/2,612847-09-3,612847093,"Akt Inhibitor VIII, Isozyme-Selective, Akti-1/2","Akt Inhibitor VIII, IsozymeSelective, Akti1/2",Akt-I-1/2,AktI1/2,"isozyme-selective, Akt
i-1/2","isozymeselective, Akti1/2","imidazoquinoxaline 16h",UNII-YX4CPQ6V6X,UNIIYX4CPQ6V6X,YX4CPQ6V6X,MLS003509084,MLS006010829,CHEMBL258844,GTPL5921,SC,T3346,"AKT inhibitor VIII"}

> <pdid>
PD012952

> <targets>
{Akt,Akt1,Akt2,Akt3,Apoptosis}

> <classes>
{Cytoskeletal Signaling,PI3K/Akt/mTOR signaling,Apoptosis,PI3K/Akt/mTOR}

> <pubchem_cids>
{135398501}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 N   0  0
    1.3787    3.8597    0.0000 N   0  0
    1.8375    5.2879    0.0000 C   0  0
    3.3367    5.2926    0.0000 C   0  0
    4.3367    6.4106    0.0000 C   0  0
    3.8684    7.8357    0.0000 N   0  0
    5.8050    6.1036    0.0000 N   0  0
    6.2732    4.6786    0.0000 C   0  0
    5.2732    3.5606    0.0000 N   0  0
    3.8050    3.8675    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 17 18  1  0
 18  8  1  0
 18 19  2  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13509

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
PIK-293

> <ctcr_id>
647

> <supplier_cmpd_id>
T3348

> <smiles>
Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4ncc5c(N)ncnc45

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{IK29,PIK-293,PIK293,900185-01-5,900185015,"PIK 293",cc-612,cc612,MLS006010992,SCHEMBL1296650,CHEMBL3182327,DTXSID40692887,EX-A880,EXA880,HMS3655H10,BCP02571,MFCD20272930,s2207,ZINC51768817,AKOS030627
137,CCG-268621,CCG268621,NCGC00346579-01,NCGC0034657901,NCGC00346579-02,NCGC0034657902,NCGC00346579-03,NCGC0034657903,AC-33120,AC33120,HY-1,HY1,T3348,S2207}

> <pdid>
PD010826

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{53245636}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -7.7851   -3.0136    0.0000 Br  0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8090    2.9872    0.0000 O   0  0
   -9.1125    3.7312    0.0000 C   0  0
   -9.1208    5.2320    0.0000 C   0  0  2  0  0  0
  -10.4224    5.9775    0.0000 C   0  0
  -10.4277    7.4775    0.0000 N   0  0
   -9.1313    8.2321    0.0000 C   0  0
   -7.8297    7.4866    0.0000 C   0  0
   -7.8244    5.9866    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 17 18  1  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13510

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
Rabusertib

> <ctcr_id>
7524

> <supplier_cmpd_id>
T6084

> <smiles>
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]3CNCCO3)cn1

> <pd_targets>
{CHEK1,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","CAMK protein kinase CAMK1 family","CAMK pr
otein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","CAMK-like (CAMKL) family","Voltage-gated potassiu
m channels","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","Muscle contraction","DNA Double-Strand Break Repair","Cardiac conduction","Homology Directed Repair","Phase 3 - rapid repolarisation","HDR through Homologous Recombination (HRR) or Sing
le Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHEK1}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{Rabusertib,LY2603618,911222-45-2,911222452,"LY 2603618",LY-2603618,IC-83,IC83,UNII-3S9L1NU6U7,UNII3S9L1NU6U7,"ly2603618  IC-83","ly2603618  IC83","Rabusertib (LY2603618)",3S9L1NU6U7,"Rabusertib (USAN
:INN)",LY2603618(IC-83),LY2603618(IC83),"LY2603618 (IC-83)","LY2603618 (IC83)","Rabusertib (USAN/INN)",cc-579,cc579,MLS006011026,SCHEMB,S2626}

> <pdid>
PD010913

> <targets>
{Chk}

> <classes>
{}

> <pubchem_cids>
{11955855}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    6.4902   -5.2570    0.0000 C   0  0
    6.4931   -3.7570    0.0000 C   0  0
    7.7906   -4.5097    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981   -3.0008    0.0000 C   0  0  2  0  0  0
   -1.3002   -3.7529    0.0000 C   0  0
   -1.3026   -5.2529    0.0000 C   0  0
   -2.6028   -6.0009    0.0000 C   0  0  2  0  0  0
   -3.9007   -5.2488    0.0000 C   0  0
   -3.8983   -3.7488    0.0000 C   0  0
   -2.6021   -7.5017    0.0000 O   0  0
   -1.3032   -8.2519    0.0000 C   0  0
    7.7938   -3.0099    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 13  1  0
 21 16  1  6
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  1
 27 28  1  0
  2 29  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13511

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
CC-223

> <ctcr_id>
11619

> <supplier_cmpd_id>
T3351

> <smiles>
CC(C)(c1ncc(cc1)c1cnc2c(n1)N(C(=O)CN2)[C@@H]1CC[C@H](CC1)OC)O

> <pd_targets>
{CSF1R,FLT4,MTOR,PIK3CA,PIK3C3,PIK3CB,PIK3CD,PI4KB,KCNH2,PIK3CG,MLST8,RPTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TK protein kinase group","Atypical protein kinase group","Voltage-gated potassium channel","
Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Receptor kinases",Atypical,"Lipid modifying kinases","Potassium channels","TK: Tyrosine kin
ase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol 3-kinase family","1-phosphatidylinositol 4-kinase fam
ily","Voltage-gated potassium channels","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth fact
or) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"Immune System",Metabolism,"Muscle contraction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Diseases of
 signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Metabolism of lipids","Cardiac conduction","Generic Transcription Pathway","Signaling by V
EGF","Signaling by FGFR in disease","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Phase 3 - rapid repolarisation","Transcriptional Regulation by VENTX","VEGF l
igand-receptor interactions","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolis
m","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of 
PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 
Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{C22,cc-223,cc223,1228013-30-6,1228013306,Onatasertib,UNII-I8RA3543SY,UNIII8RA3543SY,I8RA3543SY,CHEMBL3586404,ATG-008,ATG008,"Onatasertib (USAN)",CC223,"compound 37 (PMID: 26083478)","onatasertib (pro
posed INN)",SCHEMBL138069,SCHEMBL153700,SCHEMBL800493,GTPL8914,SCHEMBL16272828,EX-A781,EXA781,BCP09,T3351,CC-223}

> <pdid>
PD051630

> <targets>
{mTOR,c-Fms,DNA-PK,FLT4,PI3K-¦Á,Apoptosis}

> <classes>
{DNA Damage/DNA Repair,Angiogenesis,PI3K/Akt/mTOR signaling,Tyrosine Kinase/Adaptors,Apoptosis,PI3K/Akt/mTOR}

> <pubchem_cids>
{58298316}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
   11.6934    3.7454    0.0000 C   0  0
   10.3951    2.9942    0.0000 N   0  0
   10.3965    1.4942    0.0000 C   0  0
    9.0982    0.7430    0.0000 C   0  0
    7.7983    1.4917    0.0000 N   0  0
    7.7970    2.9918    0.0000 C   0  0
    9.0954    3.7430    0.0000 C   0  0
    6.4981    0.7422    0.0000 C   0  0
    6.4972   -0.7578    0.0000 C   0  0
    5.1976   -1.5070    0.0000 C   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9001    0.7439    0.0000 C   0  0
    5.1996    1.4930    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0156   -5.9927    0.0000 N   0  0
    1.3117   -5.2360    0.0000 C   0  0
    1.3039   -3.7360    0.0000 O   0  0
    2.6156   -5.9792    0.0000 C   0  0
    3.9109   -5.2229    0.0000 C   0  0
    7.7957   -1.5087    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 17  1  0
 18 22  1  0
 22 23  2  3
 23 15  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 25  1  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
  9 36  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13512

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
Avitinib

> <ctcr_id>
11540

> <supplier_cmpd_id>
T3024

> <smiles>
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F

> <pd_targets>
{JAK2,JAK3,EGFR,JAK1,BTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Tec family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type I RTKs: ErbB (ep
idermal growth factor) receptor family","Tec family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Disease,Mitotic,"Cytokine Signaling in Immune system","Signaling by GPCR","Infectious disease","Mitotic G1 phase and G1/S transition","Signaling by 
Interleukins","GPCR downstream signalling","Interferon Signaling","Leishmania infection","G1 Phase","Interleukin-2 family signaling","G alpha (q) signalling events","Antiviral mechanism by IFN-stimula
ted genes","Parasite infection","Cyclin D associated events in G1","Interleukin-15 signaling","Gastrin-CREB signalling pathway via PKC and MAPK","ISG15 antiviral mechanism","Leishmania phagocytosis","
EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{Avitinib,Abivertinib,1557267-42-1,1557267421,AC0010,AC0010MA,EX-ACEA0010,EXACEA0010,ACEA100610,"Abivertinib (USAN)","1557267-42-1 (free base)","1557267421 (free base)",AC-0010,A610,"Avitinib (AC0010)
","Avitinib free base",UNII-CER0OPG92L,UNIICER0OPG92L,CER0OPG92L,"avitinib (superceded INN)",CHEMBL4297865,SC,T3024}

> <pdid>
PD053571

> <targets>
{EGFR}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{72734520}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 32  0  0  0  0            999 V2000
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    6.4924   -3.7566    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
    0.5701    4.1788    0.0000 C   0  0
   -0.0400    5.5491    0.0000 C   0  0
   -1.5318    5.7059    0.0000 O   0  0
   -2.4135    4.4923    0.0000 C   0  0
   -3.2660    3.2582    0.0000 C   0  0
   -2.9916    5.8765    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 11 20  1  0
 20 21  2  0
 21 22  1  0
 22 10  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  0
 26 28  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13513

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
GDC-0084

> <ctcr_id>
12219

> <supplier_cmpd_id>
T3705

> <smiles>
c1c(cnc(n1)N)c1nc2c(c(n1)N1CCOCC1)nc1n2CCOC1(C)C

> <pd_targets>
{PIK3CA,MTOR,PIK3CB,PIK3CD,PIK3CG,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfami
ly"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by FGFR in disease","Generic 
Transcription Pathway","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutant
s","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{DC008,GDC-0084,GDC0084,1382979-44-3,1382979443,paxalisib,UNII-P5DKZ70636,UNIIP5DKZ70636,CHEMBL3813842,P5DKZ70636,G02441729,"Paxalisib (USAN)","Paxalisib (USAN/INN)",SCHEMBL10239943,GTPL10097,BCP18386
,EX-A1019,EXA1019,"GDC 0084",GDC-0084RG7666,GDC0084RG7666,BDBM50177662,MFCD30187522,NSC792987,s8163,T3705}

> <pdid>
PD078344

> <targets>
{PI3K,mTOR,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{57384863}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    5.1912   -4.5090    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 10  1  0
 22 23  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13514

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
SF1670

> <ctcr_id>
11787

> <supplier_cmpd_id>
T6667

> <smiles>
CC(C)(C)C(=O)Nc1cc2c(cc1)c1ccccc1C(=O)C2=O

> <pd_targets>
{LCK,PTPRC,PTPN13,CTSS,CTSL}

> <pathway_gtopdb>
{Enzyme,Kinase,Phosphatase,Protease,"Protein Kinase","Protein Phosphatase","Cysteine protease","TK protein kinase group","Tyrosine protein phosphatase","Cysteine protease CA clan","Tyrosine protein ki
nase Src family","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Peptidases and proteinases","Receptor kinases","Receptor tyrosine phosphatase (RTP) family","CA: Cysteine (C) Peptidases","TK: Tyrosine kinase","C1: Papain","
Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{Disease,"Developmental Biology","Immune System","Infectious disease","Nervous system development","Cytokine Signaling in Immune system","Adaptive Immune System","HIV Infection","Axon guidance","Signa
ling by Interleukins","Class I MHC mediated antigen processing & presentation","SARS-CoV Infections","Host Interactions of HIV factors","Semaphorin interactions","Interleukin-1 family signaling","Anti
gen processing-Cross presentation","SARS-CoV-1 Infection","The role of Nef in HIV-1 replication and disease pathogenesis","Other semaphorin interactions","Interleukin-37 signaling","Endosomal/Vacuolar
 pathway","Attachment and Entry","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SF1670,345630-40-2,345630402,"PTP CD45 Inhibitor",SF1670(PTENinhibitor),"N-(9,10-Dihydro-9,10-dioxo-2-phenanthrenyl)-2,2-dimethyl-propanamide","N(9,10Dihydro9,10dioxo2phenanthrenyl)2,2dimethylpropana
mide",CHEMBL51314,"N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide","N(9,10dioxophenanthren2yl)2,2dimethylpropanamide",N-(9,N(9,10-dioxo-9,10dioxo9,10-dihydrophenanthren-2-yl)pi,10dihydrophenan
thren2yl)pi,T6667}

> <pdid>
PD010355

> <targets>
{PTEN,Autophagy,Phosphatase}

> <classes>
{Others,Autophagy,Metabolic Enzyme/Protease,PI3K/Akt/mTOR}

> <pubchem_cids>
{9926586}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4915   -3.7597    0.0000 O   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7840   -6.0157    0.0000 C   0  0
   -7.7795   -7.5157    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 11  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 19 30  1  0
 30  9  1  0
 30 31  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13515

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
PF-04691502

> <ctcr_id>
3302

> <supplier_cmpd_id>
T6251

> <smiles>
COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N(C4CCC(CC4)OCCO)C2=O

> <pd_targets>
{MTOR,PIK3CA,AKT1,PIK3CB,PIK3CD,PIK3CG,PIK3R1,PIK3R2,PIK3R3,PIK3R5,PIK3C2G,PIK3C2B,PI4KB}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","AGC protein kinase group","Atypical protein kinase PIKK family","AGC protein kinase AKT family","Atypical protein kinase FR
AP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","AGC: Containing PKA",PKG,"PKC families","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bi
sphosphate 3-kinase family","Akt (Protein kinase B","PKB) family","Phosphatidylinositol-4-phosphate 3-kinase family","1-phosphatidylinositol 4-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Immune System","Signal Transduction","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second mes
sengers","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by FGFR in disease","Phospholipid metabolism",
"Signaling by Interleukins","Signaling by Insulin receptor","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Ins
ulin receptor signalling cascade","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Synthesis of PIPs at the Golgi membrane","Interleukin rec
eptor SHC signaling","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{F0469150,PF-04691502,PF04691502,1013101-36-4,1013101364,"PF 04691502",UNII-4W39NS61KI,UNII4W39NS61KI,CHEMBL1234354,4W39NS61KI,PF-4691502,PF4691502,PubChem24348,4tv3,cc-350,cc350,MLS006010979,GTPL7936
,SCHEMBL1381425,SCHEMBL1381431,SCHEMBL1984896,SCHEMBL10092210,SCHEMBL13976989,EX-A032,EXA032,QCR-137,QCR137,H,T6251,S2743}

> <pdid>
PD010689

> <targets>
{mTOR,PI3K,Akt}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{25033539}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
  9 13  1  0
  8 14  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13516

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
Ethyl gallate

> <ctcr_id>
12608

> <supplier_cmpd_id>
T3729

> <smiles>
CCOC(=O)c1cc(c(c(c1)O)O)O

> <pd_targets>
{SQLE}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Lanosterol biosynthesis pathway"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Activation of gene expression by SREBF (SREBP)"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ETHYL GALLATE",831-61-8,831618,"Ethyl 3,4,5-trihydroxybenzoate","Ethyl 3,4,5trihydroxybenzoate","Gallic acid ethyl ester",Phyllemblin,"Nipagallin A",Ethylgallate,"Progallin A","Benzoic acid, 3,4,5-t
rihydroxy-, ethyl ester","Benzoic acid, 3,4,5trihydroxy, ethyl ester","Gallic acid, ethyl ester","Nipa No. 48","NIPA 48",3,T3729,"Ethyl gallate"}

> <pdid>
PD065354

> <targets>
{Akt,MMP-2,MMP-9,NF-¦ÊB}

> <classes>
{"Cytoskeletal Signaling",NF-¦ªb,Proteases/Proteasome,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{13250}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 51 56  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1968    1.5003    0.0000 C   0  0  2  0  0  0
   -6.4948    0.7483    0.0000 O   0  0
   -7.7950    1.4963    0.0000 C   0  0  1  0  0  0
   -7.7974    2.9963    0.0000 C   0  0  2  0  0  0
   -6.4995    3.7483    0.0000 C   0  0  1  0  0  0
   -5.1993    3.0004    0.0000 C   0  0  1  0  0  0
   -3.9023    3.7556    0.0000 O   0  0
   -3.9069    5.2564    0.0000 C   0  0  2  0  0  0
   -5.2098    5.9999    0.0000 O   0  0
   -5.2174    7.4999    0.0000 C   0  0
   -3.9222    8.2565    0.0000 C   0  0  1  0  0  0
   -2.6194    7.5131    0.0000 C   0  0  1  0  0  0
   -2.6117    6.0131    0.0000 C   0  0  1  0  0  0
   -1.3089    5.2698    0.0000 O   0  0
   -1.3242    8.2697    0.0000 O   0  0
   -3.9298    9.7565    0.0000 O   0  0
   -6.5019    5.2483    0.0000 O   0  0
   -9.0976    3.7442    0.0000 O   0  0
   -9.0920    0.7411    0.0000 C   0  0
   -9.0875   -0.7589    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    6.4870   -5.2605    0.0000 C   0  0  2  0  0  0
    5.1842   -6.0040    0.0000 O   0  0
    5.1766   -7.5040    0.0000 C   0  0  1  0  0  0
    6.4719   -8.2606    0.0000 C   0  0  2  0  0  0
    7.7747   -7.5171    0.0000 C   0  0  1  0  0  0
    7.7822   -6.0171    0.0000 C   0  0  1  0  0  0
    9.0851   -5.2737    0.0000 O   0  0
    9.0699   -8.2737    0.0000 O   0  0
    6.4643   -9.7605    0.0000 O   0  0
    3.8716   -8.2452    0.0000 C   0  0
    2.5774   -7.4868    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  1  1  0
  8 12  1  0
 13  7  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  1
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 25 26  1  1
 24 27  1  6
 23 28  1  6
 17 29  1  6
 16 30  1  1
 15 31  1  6
 31 32  1  0
  6 33  1  0
  1 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
 37 40  1  0
 41 40  1  1
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 41  1  0
 46 47  1  6
 45 48  1  1
 44 49  1  6
 43 50  1  1
 50 51  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13517

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
Vaccarin

> <ctcr_id>
12610

> <supplier_cmpd_id>
T3881

> <smiles>
c1(cc(=O)c2c(c(c(cc2o1)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)CO)O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Vaccarin,53452-16-7,53452167,HY-N1419,HYN1419,s9230,AKOS030573644,ZINC169724091,CCG-270413,CCG270413,CS-0016850,CS0016850,Y0210,T3881}

> <pdid>
PD065171

> <targets>
{P-Akt,PERK,CD31}

> <classes>
{"Cytoskeletal Signaling",MAPK,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{71307582}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0935   -6.1101    0.0000 C   0  0
    0.5570   -7.5366    0.0000 N   0  0
    2.0570   -7.5366    0.0000 N   0  0
    2.5205   -6.1100    0.0000 C   0  0
    3.9428   -5.6391    0.0000 C   0  0
    4.2459   -4.1700    0.0000 O   0  0
    5.0644   -6.6363    0.0000 N   0  0
    6.4891   -6.1645    0.0000 C   0  0
    7.6116   -7.1595    0.0000 C   0  0
    9.0346   -6.6851    0.0000 C   0  0
    9.3352   -5.2155    0.0000 N   0  0
    8.2128   -4.2204    0.0000 C   0  0
    6.7898   -4.6948    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13518

> <plate>
PLATE 002

> <well>
G8

> <supplier_cmpd_name>
AT7519

> <ctcr_id>
2199

> <supplier_cmpd_id>
T6205

> <smiles>
Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3

> <pd_targets>
{TLK1,TAOK2,TAOK3,CLK2,DYRK1B,CDK2,CDK7,CDK9,CCNA1,CCNA2,DMPK,CDK17,DCLK3,CDK16,TAOK1,CDK5,SLK,CDK3,DYRK2,DCLK2,CCND1,CDK4,CDK5R1,CDK11B,DYRK1A,CAMKK2,CILK1,CLK4,MAK,CDK14,CDK19,CDK13,MAPK7,GSK3B,CDK1
1A,MAPK15,CLK1,CDK18,CASK,CLK3,CCNY,CDKL2,GSK3A,CDKL5,CCND3,CDK6,CDK15,CCNB1,CDK1,CCNE1,CCNH,MNAT1,CDK10,CDK12,CDK20,CDK8}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","STE protein kinase group","CMGC protein kinase group","AGC protein kinase group","CAMK protein kinase group","Other protein kinase TLK fam
ily","STE protein kinase STE20 family","CMGC protein kinase CLK family","CMGC protein kinase DYRK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","CAMK protein kinase DCAMK1 
family","Other protein kinase CAMKK family","CMGC protein kinase RCK family","CMGC protein kinase MAPK family","CMGC protein kinase GSK family","CMGC protein kinase CDKL family","STE protein kinase TA
O subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily","AGC protein kinase GEK subfamily","CM
GC protein kinase PCTAIRE","CMGC protein kinase TAIRE subfamily","CMGC protein kinase CDK5 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase PITS
LRE subfamily","Other protein kinase Meta subfamily","CMGC protein kinase MAK","CMGC protein kinase PFTAIRE","CMGC protein kinase CDK8 subfamily","CMGC protein kinase ERK5"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","STE20 family","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulat
ed kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","DMPK family","DCAMKL family","RCK family","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","CA
SK family","Cyclin-dependent kinase-like (CDKL) family","Tousled-like kinase (TLK) family","TAO subfamily","Dyrk1 subfamily","CDK1 subfamily","CDK7 subfamily","CDK9 subfamily","GEK subfamily","TAIRE s
ubfamily","CDK5 subfamily","SLK subfamily","Dyrk2 subfamily","PITSLRE subfamily","CDK4 subfamily","CAMKK family","CDK8 subfamily","CRK7 subfamily","ERK subfamily","GSK subfamily","Erk7 subfamily","Met
a subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Muscle contraction","Cell Cycle","Neuronal System",Metabolism,"Immune System","RNA Polymerase II Transcription","Infectious disease","Cardiac conduction",Mi
totic,"Transmission across Chemical Synapses","Metabolism of lipids","Innate Immune System","Generic Transcription Pathway","HIV Infection","Ion homeostasis","M Phase","Mitotic G2-G2/M phases","Mitoti
c G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of lipid metabolism by PPARalpha","Toll-like Receptor Cascades","SARS-CoV Infections","Reg
ulation of mitotic cell cycle","Transcriptional Regulation by TP53","HIV Life Cycle","Mitotic Metaphase and Anaphase","G2/M Transition","G1 Phase","G0 and Early G1","Activation of NMDA receptors and p
ostsynaptic events","PPARA activates gene expression","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","APC/C-mediated degradation of cell cycle proteins","Regulation of TP53 Activity","La
te Phase of HIV Life Cycle","Mitotic Anaphase","Centrosome maturation","Cyclin D associated events in G1","Post NMDA receptor activation events","TP53 Regulates Transcription of DNA Repair Genes","MyD
88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Assembly and cell surface presentation of NMDA receptors","Activation of APC/C and APC/C:Cdc20 mediated degr
adation of mitotic proteins","Regulation of TP53 Expression and Degradation","Transcription of the HIV genome","Separation of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation","
Recruitment of mitotic centrosome proteins and complexes","Activation of AMPK downstream of NMDARs","MAP kinase activation","Replication of the SARS-CoV-1 genome","APC/C:Cdc20 mediated degradation of 
mitotic proteins","Regulation of TP53 Degradation","HIV Transcription Elongation","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle proteins prior to
 satisfation of the cell cycle checkpoint","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Formation of HIV-1 elongation co
mplex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LZE,AT7519,844442-38-2,844442382,AT-7519,"AT 7519","4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide","4(2,6dichlorobenzamido)N(piperidin4yl)1Hpyrazole3carboxamide",UNII-X1BF92P
W9T,UNIIX1BF92PW9T,"N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide","N(4Piperidinyl)4(2,6dichlorobenzoylamino)1Hpyrazole3carboxamide","AT-7519 free base","AT7519 free base",X
1BF92PW9T,4-((2,4((2,6-dic,6dic,S1524,SY-AT-7519}

> <pdid>
PD004706

> <targets>
{CDK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{11338033}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    1.2879   -5.2349    0.0000 C   0  0
    2.5834   -5.9910    0.0000 C   0  0
    2.5758   -7.4910    0.0000 C   0  0
    3.8871   -5.2475    0.0000 N   0  0
    5.1833   -6.0040    0.0000 C   0  0
    6.4870   -5.2605    0.0000 C   0  0
    6.4916   -3.7596    0.0000 C   0  0
    7.7931   -3.0140    0.0000 O   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7841   -6.0156    0.0000 C   0  0
    9.0880   -5.2740    0.0000 C   0  0
   10.3822   -6.0322    0.0000 C   0  0
   10.3726   -7.5322    0.0000 C   0  0
   11.6668   -8.2905    0.0000 Cl  0  0
    9.0688   -8.2739    0.0000 C   0  0
    7.7746   -7.5156    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 15  1  0
 25 19  2  0
  6 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13519

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
Ipatasertib

> <ctcr_id>
6785

> <supplier_cmpd_id>
T6252

> <smiles>
CC(C)NCC(C(=O)N1CCN(CC1)c2ncnc3C(O)CC(C)c23)c4ccc(Cl)cc4

> <pd_targets>
{AKT2,AKT3,AKT1,PRKG1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family","AGC protein kinase PKG family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family","Protein kinase G (PKG) family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Hemostasis,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Platelet homeostasis","Signaling by Insulin receptor","G
eneric Transcription Pathway","Nitric oxide stimulates guanylate cyclase","Insulin receptor signalling cascade","Transcriptional Regulation by TP53","cGMP effects","IRS-mediated signalling","Regulatio
n of TP53 Activity","PI3K Cascade","Regulation of TP53 Expression and Degradation","PKB-mediated events","Regulation of TP53 Degradation","PDE3B signalling"}

> <broad_targets>
{AKT1,AKT2,AKT3,PRKG1}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{MFCD22124514,SCHEMBL19867534,HMS3656F12,HMS3672G19,NCGC00387830-03,NCGC0038783003,AK174371,DA-33608,DA33608,SY272632,FT-0773211,FT0773211,T6252,S2808,Ipatasertib,GDC-0068}

> <pdid>
PD017093

> <targets>
{Akt}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{74078320}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    9.8941   -8.8675    0.0000 C   0  0
   10.0994   -7.3817    0.0000 N   0  0
    9.0370   -6.3477    0.0000 C   0  0
    9.6577   -4.9951    0.0000 C   0  0
   11.1448   -5.1913    0.0000 C   0  0
   11.4178   -6.6662    0.0000 N   0  0
    8.9324   -3.6822    0.0000 Cl  0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    5.3273   -7.4917    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.5408   -5.3899    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
    0.0000    3.0000    0.0000 F   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 N   0  0
    7.4046   -9.1739    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 20 25  1  0
 16 26  1  0
 26 27  1  0
  9 28  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13520

> <plate>
PLATE 002

> <well>
G10

> <supplier_cmpd_name>
Uprosertib

> <ctcr_id>
12594

> <supplier_cmpd_id>
T6849

> <smiles>
Cn1c(c(cn1)Cl)c1c(oc(c1)C(=O)N[C@@H](Cc1cc(c(cc1)F)F)CN)Cl

> <pd_targets>
{RPS6KB1,AKT1,AKT3,ROCK1,AKT2,SGK1,RPS6KA1,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase RSK family","AGC protein kinase AKT family","AGC protein kinase DMPK family","AGC protein kinase SGK family","AGC protein
 kinase PKC family","AGC protein kinase p70 subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","RSK family","Akt (Protein kinase B","PKB) family","DMPK family","SGK family","p70 subfamily","Rho kinase","RSK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Developmental Biology","Immune System","MTOR signalling","RNA Polymerase II Transcription","Nervous system development","Signaling by Receptor
 Tyrosine Kinases","Innate Immune System","mTORC1-mediated signalling","Generic Transcription Pathway","Axon guidance","Signaling by Insulin receptor","Toll-like Receptor Cascades","Transcriptional Re
gulation by TP53","Semaphorin interactions","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cascade","Regulation of TP53 Activity","Sema4D in semaphorin signaling","IRS-mediated sig
nalling","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Expression and Degradation","Sema4D induced cell migration and growth-cone collapse","PI3K Cascade","MAP kinase activation","R
egulation of TP53 Degradation","PKB-mediated events","MAPK targets/ Nuclear events mediated by MAP kinases","PDE3B signalling","CREB phosphorylation"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{Uprosertib,1047634-65-0,1047634650,GSK2141795,UNII-ZXM835LQ5E,UNIIZXM835LQ5E,"Uprosertib (GSK2141795)",GSK2141795C,GSK-2141795,ZXM835LQ5E,GSK795,"Uprosertib (USAN:INN)","Uprosertib (USAN/INN)",SCHEMB
L168584,"Uprosertib, GSK2141795",GTPL7902,CHEMBL3137336,BCP28204,EX-A15,EXA15,T6849}

> <pdid>
PD047342

> <targets>
{Akt,Akt1,Akt2,Akt3}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{51042438}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    6.5025    0.7576    0.0000 C   0  0
    5.2048    1.5099    0.0000 O   0  0
    7.8026    1.5057    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 O   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 13  1  0
 23 17  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 15 30  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13521

> <plate>
PLATE 002

> <well>
G11

> <supplier_cmpd_name>
AZD6482

> <ctcr_id>
1683

> <supplier_cmpd_id>
T6087

> <smiles>
CC(Nc1ccccc1C(O)=O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C

> <pd_targets>
{PIK3CB,PIK3CG,PIK3CD,PIK3CA,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System",Disease,"Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Cytokine Signaling in Immune system","Diseases of signal transduction by grow
th factor receptors and second messengers","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Interleukins","Signaling by FGFR in disease","Insulin receptor signalling cascade","P
I Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signalin
g","FGFR1 mutant receptor activation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{663620-70-0,663620700,"(Rac)-AZD 6482","(Rac)AZD 6482",(Rac)-KIN-193,(Rac)KIN193,AZD-6482,AZD6482,SCHEMBL825695,CHEMBL2133638,HMS3265K07,HMS3265K08,HMS3265L07,HMS3265L08,HMS3654B12,HMS3750G11,BCP0226
3,CS-M0111,CSM0111,AKOS032947289,4-dodecylbenzyltrimethylammoniumchloride,4dodecylbenzyltrimethylammoniumchloride,NCGC00389715-01,NCGC0038971501,CS-14179,CS14179,DA-,DA,T6087,S1462}

> <pdid>
PD003410

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10364098}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
    7.4223   -2.8043    0.0000 O   0  0
    6.4202   -1.6882    0.0000 C   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    6.3495    2.2805    0.0000 N   0  0
    7.8167    2.5927    0.0000 C   0  0
    8.2800    4.0194    0.0000 C   0  0
    7.2761    5.1339    0.0000 O   0  0
    5.8089    4.8218    0.0000 C   0  0
    5.3456    3.3952    0.0000 C   0  0
    4.4160    0.5441    0.0000 O   0  0
    3.9504   -0.8818    0.0000 C   0  0
    4.9525   -1.9980    0.0000 C   0  0
    4.2013   -3.2954    0.0000 S   0  0
    2.7345   -2.9814    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  4 11  1  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 25 26  2  0
 26 17  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13522

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
SF2523

> <ctcr_id>
11630

> <supplier_cmpd_id>
T3986

> <smiles>
O=c1cc(N2CCOCC2)oc2c1scc2c1ccc2OCCOc2c1

> <pd_targets>
{PIK3CA,PIK3CD,PIK3R1,PIM1,PIK3CG,PIK3R2,MTOR,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","CAMK protein kinase group","Atypical protein kinase group","CAMK protein kinase PIM family","Atypical protein kinase PIKK family","Atypical protein kinase 
FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Lipid modifying kinases","Phosphatidylinositol kinases","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,Phosphatidylinosit
ol-4,"5-bisphosphate 3-kinase family","PIM family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Signal Transduction","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Im
mune system","Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by Interleukins","FLT3 signaling in disease","P
hospholipid metabolism","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FLT3 ITD and TK
D mutants","PI Metabolism","Insulin receptor signalling cascade","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","STAT5 activation downstre
am of FLT3 ITD mutants","Synthesis of PIPs at the plasma membrane","IRS-mediated signalling","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of T
P53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SF2523,1174428-47-7,1174428477,SF-2523,CHEMBL2322228,SCHEMBL2850172,"SF2523 pound>>SF 2523",BCP25252,EX-A1381,EXA1381,BDBM50427453,NSC791024,s8589,AKOS032960486,ZINC101661736,CCG-268310,CCG268310,CS-
6474,CS6474,NSC-791024,SB18840,SF2523?,AC-31531,AC31531,BS-14591,BS14591,HY-101146,HY101146,82V,T3986}

> <pdid>
PD060806

> <targets>
{PI3K,DNA-PK,"Epigenetic Reader Domain",mTOR,BRD4,PI3K¦Á,PI3K¦Ã}

> <classes>
{"DNA Damage/DNA Repair",Chromatin/Epigenetic,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{44180156}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
    0.0125   -5.9981    0.0000 N   0  0
    0.0156   -7.4989    0.0000 C   0  0
   -1.2835   -8.2490    0.0000 C   0  0
   -1.2835   -9.7490    0.0000 C   0  0
    0.0156  -10.4990    0.0000 C   0  0
    1.3146   -9.7490    0.0000 C   0  0
    1.3146   -8.2490    0.0000 C   0  0
    2.6159   -7.5013    0.0000 O   0  0
    3.9139   -8.2532    0.0000 C   0  0
    0.0156  -11.9998    0.0000 N   0  0
   -1.2823  -12.7520    0.0000 C   0  0
   -1.2799  -14.2520    0.0000 C   0  0
    0.0203  -14.9999    0.0000 N   0  0
    0.0227  -16.4999    0.0000 C   0  0
    1.3182  -14.2478    0.0000 C   0  0
    1.3158  -12.7478    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1932   -3.0130    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 19 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 24  1  0
 14 31  2  0
 31 32  1  0
 32 33  2  0
 33 12  1  0
 33 34  1  0
 10 35  2  0
 35  6  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13523

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
WZ4003

> <ctcr_id>
1736

> <supplier_cmpd_id>
T6291

> <smiles>
CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N4CCN(C)CC4)ncc2Cl)c1

> <pd_targets>
{NUAK1,NUAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","NuaK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{NUAK1,NUAK2}

> <broad_moa>
{"AMPK inhibitor"}

> <synonyms>
{WZ4003,1214265-58-3,1214265583,"1214265 58 3",WZ-4003,"WZ 4003",GTPL8047,CHEMBL4303523,HMS3653E12,HMS3674E13,BCP09218,EX-A2485,EXA2485,"EX A2485",2806AH,ABP001164,s7317,ZINC68711428,AKOS025142058,CCG
-264737,CCG264737,"CCG 264737",CS-3258,CS3258,"CS 3258",NCGC00386309-05,NCGC0038630905,"NCGC00386309 05",NCGC00386309-07,NCGC0038630907,"NCGC00386309 07",AC-30128,AC30128,"AC 30128",AK547101,AS-55863,
AS55863,"AS 55863",HY-15802,HY15802,"HY 15802",QC-11658,QC11658,"QC 11658",T6291,S7317}

> <pdid>
PD003267

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{72200024}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 N   0  0
   -1.2942   -8.2509    0.0000 C   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
   -1.2919   -9.7516    0.0000 C   0  0
   -2.5026  -10.6153    0.0000 N   0  0
   -2.0346  -12.0404    0.0000 C   0  0
   -0.5346  -12.0357    0.0000 N   0  0
   -0.0756  -10.6076    0.0000 N   0  0
   -3.8971   -5.2551    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 20  1  0
 15 25  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13524

> <plate>
PLATE 002

> <well>
H4

> <supplier_cmpd_name>
CC-115

> <ctcr_id>
11633

> <supplier_cmpd_id>
T3541

> <smiles>
CCN1C(=O)CNc2ncc(nc12)c1c(nc(cc1)c1ncn[nH]1)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{C11,cc-115,cc115,1228013-15-7,1228013157,CC115,UNII-FII75TFH5L,UNIIFII75TFH5L,FII75TFH5L,CHEMBL3586573,"1228013-15-7 (free base)","1228013157 (free base)","CC 115",SCHEMBL135765,SCHEMBL14877034,BCP16
702,EX-A3190,EXA3190,BDBM50093082,MFCD29036965,NSC793151,s7891,AKOS030526334,ZINC113191351,CCG-267869,CCG267869,CS-4561,CS4561,DB12740,T3541,CC-115}

> <pdid>

> <targets>
{DNA-PK,mTOR,PI3K¦Á}

> <classes>
{"DNA Damage/DNA Repair","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{58298318}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    2.9357   -7.1465    0.0000 C   0  0
    1.9988   -8.3179    0.0000 O   0  0
    2.3903   -5.7483    0.0000 C   0  0  2  0  0  0
    0.9074   -5.5222    0.0000 C   0  0
    3.3277   -4.5763    0.0000 O   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 O   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
    0.2015    3.2154    0.0000 C   0  0
    1.6774    3.4832    0.0000 C   0  0
    2.3882    2.1623    0.0000 N   0  0
    2.3285    4.8353    0.0000 C   0  0
    1.7136    6.1843    0.0000 N   0  0
    2.8318    7.1840    0.0000 N   0  0
    4.1282    6.4295    0.0000 C   0  0
    3.8112    4.9634    0.0000 N   0  0
    0.2472    6.4914    0.0000 C   0  0
   -0.2216    7.9163    0.0000 C   0  0
   -0.7528    5.3733    0.0000 C   0  0
    4.4186   -7.3727    0.0000 N   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 16  6  1  0
 11 17  1  0
 17 18  2  0
 18 19  1  0
 19 10  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 20  2  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
  1 28  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13525

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
GDC-0326

> <ctcr_id>
12217

> <supplier_cmpd_id>
T3985

> <smiles>
C(=O)([C@H](C)Oc1ccc2c3n(CCOc2c1)cc(n3)c1n(ncn1)C(C)C)N

> <pd_targets>
{PIK3CA}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by FGFR in disease","Signaling by FGFR1 in disease","FGFR1 mutant receptor activation","Signaling
 by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DC032,GDC-0326,GDC0326,1282514-88-8,1282514888,CHEMBL3771364,"GDC 0326",SCHEMBL1485471,AMY16651,EX-A2543,EXA2543,BDBM50149548,s8157,CCG-268429,CCG268429,CS-7672,CS7672,AC-29899,AC29899,HY-101272,HY10
1272,J3.605.585E,Q27455759,T3985}

> <pdid>
PD063697

> <targets>
{PI3K,PI3K¦Á}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{58204997}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   11.7034  -12.7474    0.0000 Br  0  0
   10.4028  -12.0001    0.0000 C   0  0
    9.1053  -12.7527    0.0000 C   0  0
    7.8048  -12.0054    0.0000 C   0  0
    7.8016  -10.5053    0.0000 C   0  0
    6.5019   -9.7549    0.0000 C   0  0
    6.5009   -8.2541    0.0000 C   0  0
    5.2012   -7.5037    0.0000 C   0  0
    5.2002   -6.0029    0.0000 N   0  0
    3.9005   -5.2525    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.0992   -9.7527    0.0000 C   0  0
   10.3998  -10.5001    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13526

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
H 89 2HCl

> <ctcr_id>
17

> <supplier_cmpd_id>
T6250

> <smiles>
Brc1ccc(C=CCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1

> <pd_targets>
{MYLK,PRKACA,ROCK2,AKT1,PRKACB,PRKACG,GMNN,AKT2,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,PRKG1,CAMK2B,CAMKK2,ALDH1A1,AKT3,PRKAR2A,PRKAR2B,CSNK1A1,CSNK1D,CSNK1E,CSNK1G1,CSNK1G2
,MYLK3,RPS6KB1,FTL,PMP22,MAPT,LMNA,MAPK1,RPS6KA5,GSK3B,CHEK2,LIMK1,CHEK1,MARK2,KDR,DAPK3,RPS6KA3,MARK3,AURKA,CDK5,PRKAA1,AURKB,ROCK1,PRKD2,STK3,SGK2,CDK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein",Kinase,Oxidoreductase,"Protein Kinase","CAMK protein kinase group","AGC protein kinase group","Other protein kinase gro
up","CK1 protein kinase group","CMGC protein kinase group","CAMK protein kinase MLCK family","AGC protein kinase PKA family","AGC protein kinase DMPK family","AGC protein kinase AKT family","AGC prote
in kinase PKC family","AGC protein kinase PKG family","CAMK protein kinase CAMK2 family","Other protein kinase CAMKK family","CK1 protein kinase CK1 family","AGC protein kinase RSK family","CMGC prote
in kinase MAPK family","CMGC protein kinase GSK family","AGC protein kinase ROCK subfamily","AGC protein kinase PKC alpha subfamily","Other protein kinase Meta subfamily","AGC protein kinase p70 subfa
mily","CMGC protein kinase ERK1","AGC protein kinase MSK subfamily","TKL protein kinase group","TK protein kinase group","STE protein kinase group","CAMK protein kinase RAD53 family","TKL protein kina
se LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK family","Other protein kinase AUR family","CMGC protein kinase CDK family","CAMK pro
tein kinase PKD family","STE protein kinase STE20 family","AGC protein kinase SGK family","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase MARK subfamily",
"AGC protein kinase PKC iota subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase CDK5 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","STE prote
in kinase MST subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CK1: Casein kinase 1",
"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Myosin Light Chain Kinase (MLCK) family","Protein kinase A (PKA) family","DMPK family","Akt (Protein kinase B","PKB) family","Protein kinase G (PKG) fa
mily","CAMK2 family","Other protein kinases","RSK family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GS
K) family","Rho kinase","CAMKK family","p70 subfamily","Delta subfamily","ERK subfamily","MSK subfamily","GSK subfamily","Meta subfamily","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 ki
nases","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","Protein kinase D (PKD) family","STE2
0 family","SGK family","CHK1 subfamily","LIM domain kinase (LISK) family","MARK subfamily","Iota subfamily","Receptor tyrosine kinases (RTKs)","Alpha subfamily","RSK subfamily","Aurora kinase (Aur) fa
mily","CDK5 subfamily","AMPK subfamily","MST subfamily","CDK1 subfamily","LIMK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Developmental Biology","Gene expression (Transcription)",Hemostasis,"Neuronal System",Metabolism,"Vesicle-mediated transport",Disease,"Immune System","Signaling by
 Rho GTPases",Mitotic,"Nervous system development","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Platelet homeostasis","Transmission across Chemical Synapses","Biological
 oxidations","Intracellular signaling by second messengers","MTOR signalling","Membrane Trafficking","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messenge
rs","Innate Immune System","Infectious disease","RHO GTPase Effectors","Mitotic G2-G2/M phases","Axon guidance","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Signaling by Ins
ulin receptor","Nitric oxide stimulates guanylate cyclase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","DAG and IP3 signaling","mTORC1-
mediated signalling","trans-Golgi Network Vesicle Budding","GPCR downstream signalling","Signaling by WNT in cancer","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Toll-li
ke Receptor Cascades","SARS-CoV Infections","RHO GTPases activate PAKs","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","G1/S Transition","Insulin receptor signalling 
cascade","cGMP effects","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","CaM pathway","Golgi Associated Vesicle Biogenesis","G alpha (i) signalling events","Signaling by AME
R1 mutants","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Centrosome maturation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","Activa
tion of the pre-replicative complex","IRS-mediated signalling","Post NMDA receptor activation events","Calmodulin induced events","Visual phototransduction","Truncations of AMER1 destabilize the destr
uction complex","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Loss of proteins required for interphase microtubule organization fro
m the centrosome","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","PI3K Cascade","CREB1 phosphorylation through NMDA receptor-mediated activati
on of RAS signaling","Activation of AMPK downstream of NMDARs","PKA-mediated phosphorylation of CREB","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Replic
ation of the SARS-CoV-1 genome","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","PKB-mediated events","Ras activation upon Ca2+ influx through NMDA receptor","PKA activation",I
nactivation,"recovery and regulation of the phototransduction cascade","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","PDE3B signalling","ERK/
MAPK targets","CREB phosphorylation","ERKs are inactivated","DNA Repair","Programmed Cell Death","Transport of small molecules","DNA Double-Strand Break Repair","Signaling by Nuclear Receptors",Apopto
sis,"Metabolism of lipids","Signaling by Hippo","Ion channel transport","Homology Directed Repair","ESR-mediated signaling","Signaling by VEGF","Caspase activation via extrinsic apoptotic signalling p
athway","Oncogenic MAPK signaling","Sphingolipid metabolism","Stimuli-sensing channels","Regulation of mitotic cell cycle","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)"
,"Extra-nuclear estrogen signaling","VEGFA-VEGFR2 Pathway","Caspase activation via Dependence Receptors in the absence of ligand","Glutamate binding","activation of AMPA receptors and synaptic plastic
ity","Signaling by RAS mutants","Sphingolipid de novo biosynthesis","APC/C-mediated degradation of cell cycle proteins","HDR through Homologous Recombination (HRR)","Estrogen-stimulated signaling thro
ugh PRKCZ","VEGFR2 mediated cell proliferation","Trafficking of AMPA receptors","Signaling downstream of RAS mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Ho
mologous DNA Pairing and Strand Exchange","Trafficking of GluR2-containing AMPA receptors","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","APC/C:Cdc20 mediated
 degradation of mitotic proteins","Presynaptic phase of homologous DNA pairing and strand exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkp
oint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{GSG2,PKIA,PRKACA}

> <broad_moa>
{"PKA inhibitor"}

> <synonyms>
{8,"Protein kinase inhibitor H-89","Protein kinase inhibitor H89",CHEBI:47495,N-(2-(4-bromocinnamylamino)ethyl)isoquinoline-5-sulfonamide,N(2(4bromocinnamylamino)ethyl)isoquinoline5sulfonamide,N-(2-(3
-(4-bromophenyl)prop-2-enylamino)ethyl)isoquinoline-5-sulfonamide,N(2(3(4bromophenyl)prop2enylamino)ethyl)isoquinoline5sulfonamide,Kinome_2783,Kinome2783,Kinome-2783,"Kinome 2783",CBiol_002015,CBiol00
2015,CBiol-002015,"CBiol 002015",KBioGR_000447,KBioGR000447,KBioGR-000447,"KBioGR 000447",KBioSS_000447,KBioSS000447,KBioSS-000447,"KBioSS 000447",CHEMBL1987756,KBio2_,KBio2,KBio2-,T6250,"H 89 2HCl",H
-89}

> <pdid>
PD005269

> <targets>
{PKA}

> <classes>
{}

> <pubchem_cids>
{3541}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
    5.9493   -1.2353    0.0000 C   0  0
    5.1072    0.0000    0.0000 C   0  0
    5.7538    1.3554    0.0000 C   0  0
    7.2495    1.4683    0.0000 C   0  0
    8.0952    0.2294    0.0000 C   0  0
    7.4450   -1.1224    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.1884   -2.6409    0.0000 C   0  0
    4.6235   -3.0601    0.0000 C   0  0
    4.9782   -4.5176    0.0000 C   0  0
    3.8933   -5.5535    0.0000 C   0  0
    2.4538   -5.1320    0.0000 C   0  0
    2.0991   -3.6745    0.0000 C   0  0
    4.2481   -7.0118    0.0000 C   0  0
    5.4753   -6.2671    0.0000 C   0  0
    6.1937   -7.5839    0.0000 C   0  0
    4.8769   -8.3023    0.0000 C   0  0
    3.1611   -8.0455    0.0000 N   0  0
    5.2988   -2.5869    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 10 21  1  0
 21  7  2  0
  8 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 28  1  0
 28 32  1  0
  1 33  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13527

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
Miransertib

> <ctcr_id>
11801

> <supplier_cmpd_id>
T3467

> <smiles>
c1(c(cccn1)c1n(c2c(ccc(n2)c2ccccc2)n1)c1ccc(cc1)C1(CCC1)N)N

> <pd_targets>
{CYP2C19,AKT1,CYP2C8,CYP2D6,CYP3A4,CYP1A2,CYP2C9,AKT3,AKT2}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Kinase,"Cytochrome P450 family 2","Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrome P450 family 2C","AGC protein kinase group","Cytochrome P4
50 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 2C19","AGC protein kinase AKT family","Cytochrome P450 2C8","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochro
me P450 1A1","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Kinases (EC 2.7.x.x)","CYP2 family: drug metabolising subset","AGC: Containing PKA",PKG,"PKC families","CYP3 family","CYP1 family","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Signal Transduction","Biological oxidations","RNA Polymerase II Transcription","Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","Phase I -
 Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Insulin receptor","Cytochrome P450 - arranged by substrate ty
pe","Transcriptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Insulin receptor signalling cascade",Xenobiotics,"Regulation of TP53 Activity","Biosynthesis of maresins","IRS-mediated sig
nalling","CYP2E1 reactions","Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","PI3K Cascade","Regul
ation of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{AKT2}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{SCHEMBL2187875,CHEMBL4297188,BCP19821,miransertib,ARQ-092,ARQ092,"ARQ 092",1313881-70-7,1313881707,"1313881 70 7","AKT inhibitor 2","Miransertib free base",UNII-T1DQI1B52Y,UNIIT1DQI1B52Y,"UNII T1DQI1
B52Y",T1DQI1B52Y,"1313881-70-7 (free base)","1313881707 (free base)","1313881 70 7 (free base)","Miransertib (INN)","Miransertib (USAN)","Miransertib (WHO-","Miransertib (WHO",T3467,Miransertib}

> <pdid>
PD053553

> <targets>
{Akt,Parasite}

> <classes>
{Cytoskeletal Signaling,PI3K/Akt/mTOR signaling,Anti-infection,PI3K/Akt/mTOR}

> <pubchem_cids>
{53262401}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.3408   -4.2142    0.0000 C   0  0
   -1.8408   -4.2089    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 N   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
  5 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 16 24  2  0
 24 12  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13528

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
PIK-III

> <ctcr_id>
11500

> <supplier_cmpd_id>
T6945

> <smiles>
Nc1ncc(c(n1)CC1CC1)c1ccnc(Nc2ccncc2)n1

> <pd_targets>
{PIK3C3,PIK3CG,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases","Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid me
tabolism","Signaling by Interleukins","Insulin receptor signalling cascade","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasm
a membrane","Interleukin receptor SHC signaling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IKII,PIK-III,PIKIII,1383716-40-2,1383716402,Vps34-PIK-III,Vps34PIKIII,CHEMBL3781415,"4'-(Cyclopropylmethyl)-N~2~-(Pyridin-4-Yl)-4,5'-Bipyrimidine-2,2'-Diamine","4'(Cyclopropylmethyl)N~2~(Pyridin4Yl)4
,5'Bipyrimidine2,2'Diamine","4'-(CYCLOPROPYLMETHYL)-N2-(PYRIDIN-4-YL)-(4,5'-BIPYRIMIDINE)-2,2'-DIAMINE","4'(CYCLOPROPYLMETHYL)N2(PYRIDIN4YL)(4,5'BIPYRIMIDINE)2,2'DIAMINE",VPS34-IN2,VPS34IN2,4ph4,Vps34
-PIK-III?,Vps34PIKIII?,GTPL9379,SCHEMBL,T6945}

> <pdid>
PD071608

> <targets>
{Autophagy,PI3K,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä,Vps34}

> <classes>
{PI3K/Akt/mTOR signaling,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{67983123}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
    5.1855   -6.0062    0.0000 O   0  0
    6.4870   -5.2605    0.0000 C   0  0
    7.7840   -6.0157    0.0000 N   0  0
    7.7795   -7.5165    0.0000 C   0  0
    9.0758   -8.2712    0.0000 C   0  0
    6.4915   -3.7597    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0  1  0  0  0
    2.5981    3.0050    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.7059   -1.4069    0.0000 C   0  0
   -1.7046   -2.3132    0.0000 C   0  0
   -3.6065    0.0000    0.0000 S   0  0
   -4.0934   -0.8734    0.0000 O   0  0
   -4.3371    1.3100    0.0000 O   0  0
   -2.7248    1.2135    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 14  1  0
 13 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 21  1  0
 22 30  2  0
 30 11  1  0
 10 31  1  0
 31 32  2  0
 32  7  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13529

> <plate>
PLATE 002

> <well>
H9

> <supplier_cmpd_name>
CZ415

> <ctcr_id>
12406

> <supplier_cmpd_id>
T3514

> <smiles>
O=C(NCC)Nc1ccc(c2nc(N3[C@@H](C)COCC3)c3c(C(C)(C)S(=O)(=O)C3)n2)cc1

> <pd_targets>
{MTOR,MAPKAP1,MLST8,RICTOR,KCNH2,RPTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PIKK family","
Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels",Atypical,"Potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium chann
els","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Muscle contraction","RNA Polymerase II Transcription","Cardiac conduction","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Transcriptional Regulat
ion by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CZ415,1429639-50-8,1429639508,CHEMBL4577549,CZ-415,SCHEMBL14852676,BCP20204,EX-A1459,EXA1459,BDBM50535043,s8298,ZINC143379751,CCG-269328,CCG269328,CS-6131,CS6131,SB18770,AC-31530,AC31530,BS-15397,BS1
5397,HY-100222,HY100222,T3514}

> <pdid>
PD065109

> <targets>
{mTOR}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{71547699}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    3.8976   -0.7465    0.0000 C   0  0
    2.5998   -1.4987    0.0000 C   0  0  1  0  0  0
    2.6028   -2.9995    0.0000 N   0  0
    3.9036   -3.7481    0.0000 C   0  0
    3.9087   -5.2482    0.0000 C   0  0
    5.2103   -5.9938    0.0000 C   0  0
    5.2154   -7.4937    0.0000 F   0  0
    6.5068   -5.2394    0.0000 C   0  0
    6.5017   -3.7394    0.0000 C   0  0
    7.7982   -2.9850    0.0000 F   0  0
    5.2001   -2.9938    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -0.0012   -6.0029    0.0000 C   0  0
   -0.0035   -7.5029    0.0000 C   0  0
   -1.3038   -8.2509    0.0000 O   0  0
   -2.6016   -7.4988    0.0000 C   0  0
   -2.5992   -5.9988    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 19 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 14 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13530

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
AZD8186

> <ctcr_id>
12239

> <supplier_cmpd_id>
T6773

> <smiles>
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C

> <pd_targets>
{PIK3CA,PIK3CD,PIK3CG,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Metabolism of lipids
","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR in disease","Signaling by Interleukins","Phospholipid metabolism","Signaling by Insulin receptor","Signaling by FGFR1 in disease",Interleu
kin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Insulin receptor signalling cascade","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasm
a membrane","IRS-mediated signalling","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade"}

> <broad_targets>
{PIK3CB,PIK3CD}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{AZD8186,1627494-13-6,1627494136,AZD-8186,AIQ4OWD0RA,UNII-AIQ4OWD0RA,UNIIAIQ4OWD0RA,CHEMBL3408248,"AZD 8186",1296270-45-5,1296270455,GTPL8527,SCHEMBL1636956,AMY16571,EX-A1649,EXA1649,BDBM50070322,MFCD
27987908,NSC777572,NSC799352,s7694,AKOS025404922,ZINC116734639,ACN-037528,ACN037528,CCG-269309,CCG269309,CS-4975,CS4975,T6773}

> <pdid>
PD012988

> <targets>
{PI3K,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{52913813}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13531

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
Compound 401

> <ctcr_id>
3616

> <supplier_cmpd_id>
T3586

> <smiles>
O=C1C=C(N=C2N1C=Cc3ccccc23)N4CCOCC4

> <pd_targets>
{PRKDC,MTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases","FRAP subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Innate Immune System","RNA Polymerase II Transcription","Cytosolic sensors of pathogen-associated DNA","Generic Transcription Pathway","STING mediat
ed induction of host immune responses","Transcriptional Regulation by TP53","IRF3-mediated induction of type I IFN","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regul
ation of TP53 Degradation"}

> <broad_targets>
{MTOR,PRKDC}

> <broad_moa>
{"DNA dependent protein kinase inhibitor"}

> <synonyms>
{"Compound 401",168425-64-7,168425647,"2-morpholino-4H-pyrimido(2,1-a)isoquinolin-4-one","2morpholino4Hpyrimido(2,1a)isoquinolin4one","2-(morpholin-4-yl)pyrimido(2,1-a)isoquinolin-4-one","2(morpholin4
yl)pyrimido(2,1a)isoquinolin4one","2-(4-MORPHOLINYL)-4H-PYRIMIDO(2,1-A)ISOQUINOLIN-4-ONE","2(4MORPHOLINYL)4HPYRIMIDO(2,1A)ISOQUINOLIN4ONE",CHEMBL179242,4H-Pyrimido(2,4HPyrimido(2,1-a)isoquinolin-4-one
,1a)isoquinolin4one,2-(4-morph,2(4morph,T3586,3271,"EMD 234501",234501,"COMPOUND 401"}

> <pdid>
PD015722

> <targets>
{DNA-PK,"Compound 401"}

> <classes>
{}

> <pubchem_cids>
{10039361}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 C   0  0
   -1.6261   -6.5033    0.0000 S   0  0
    0.7536   -5.2860    0.0000 S   0  0
    1.2149   -3.8587    0.0000 S   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  1  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13532

> <plate>
PLATE 003

> <well>
A2

> <supplier_cmpd_name>
Desmethylanethol trithione

> <ctcr_id>
12182

> <supplier_cmpd_id>
T3560

> <smiles>
c1cc(O)ccc1c1cc(=S)ss1

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{18274-81-2,18274812,"5-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thione","5(4hydroxyphenyl)3H1,2dithiole3thione","Desmethylanethol trithione",ADT-OH,ADTOH,"3H-1,2-Dithiole-3-thione, 5-(4-hydroxyphenyl)-","
3H1,2Dithiole3thione, 5(4hydroxyphenyl)",CHEMBL402341,UNII-P3SE9K2LHV,UNIIP3SE9K2LHV,P3SE9K2LHV,"ACS 1",4-(5-sulfanyldithiol-3-ylidene)cyc,4(5sulfanyldithiol3ylidene)cyc,T3560}

> <pdid>
PD017724

> <targets>
{Akt,VEGFR}

> <classes>
{"Cytoskeletal Signaling",Angiogenesis,"PI3K/Akt/mTOR signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{3082127}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
   12.4289  -10.2253    0.0000 C   0  0
   11.1294  -10.9745    0.0000 C   0  0
   11.1290  -12.4745    0.0000 C   0  0
   12.4281  -11.7250    0.0000 C   0  0
    9.8319  -10.2254    0.0000 C   0  0
    9.6751   -8.7336    0.0000 O   0  0
    8.2168   -8.4417    0.0000 C   0  0
    7.6035   -7.0719    0.0000 C   0  0
    6.1107   -6.9172    0.0000 S   0  0
    5.4984   -5.5497    0.0000 C   0  0
    4.0312   -5.2378    0.0000 S   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   0  0
    6.2484   -4.2507    0.0000 C   0  0
    7.4579   -9.7208    0.0000 N   0  0
    8.4616  -10.8355    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 12 22  2  0
 22 23  1  0
 23 10  2  0
  7 24  2  0
 24 25  1  0
 25  5  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13533

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
SNS-032

> <ctcr_id>
2475

> <supplier_cmpd_id>
T6049

> <smiles>
CC(C)(C)c1oc(CSc2sc(NC(=O)C3CCNCC3)nc2)nc1

> <pd_targets>
{MAPK6,BRSK2,MAK,HIPK2,CDK1,CIT,CDK9,CCNB1,FLT3,CSNK1E,AURKA,CDKL2,MAP3K7,CCNE1,CDK2,MKNK1,CDK19,CDK8,AURKC,CLK1,CDK7,CLK2,CDK5,CDK3,CDK16,CDK14,DCLK3,DCLK1,STK17A,DYRK1B,MAPK4,CCNH,CSNK1D,DYRK2,DYRK1
A,MYLK3,CCND1,CDK4,IRAK3,CCNE2,PRKD1,CDKL5,HIPK3,RIOK2,PRKD3,GSK3A,MELK,MAPK10,CDK11A,CLK4,DCLK2,STK36,GAK,CDK17,PAK3,CDK15,HIPK1,PHKG2,MKNK2,MYLK2,COQ8B,TAOK3,NUAK2,MAPK15,PRKD2,TGFBR2,PHKG1,MYLK4,PR
KAA1,BRAF,CASK,TAOK2,MYLK,CSNK1A1,CCND2,CCND3,MAPK7,GSK3B,MAST1,TAOK1,RPS6KA5,CDK11B,CCNB2,CCNB3,CDKL3,CCNT1,ULK1,CILK1,CDK13,FLT1,CDK18,CCNA2,MNAT1,CDK5R1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase group","TK protein kinase group","CK1 protein kinase group","Other protein kinase group","TK
L protein kinase group","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase MAPK family","CAMK protein kinase CAMK1 family","CMGC protein kinase RCK family","CMGC protein k
inase DYRK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","Tyrosine protein kinase PDGFR family","CK1 protein kinase CK1 family","Other protein kinase AUR family","CMGC prot
ein kinase CDKL family","TKL protein kinase MLK family","CAMK protein kinase MAPKAPK family","CMGC protein kinase CLK family","CAMK protein kinase DCAMK1 family","CAMK protein kinase DAPK family","CAM
K protein kinase MLCK family","TKL protein kinase IRAK family","CAMK protein kinase PKD family","Atypical protein kinase RIO family","CMGC protein kinase GSK family","Other protein kinase ULK family",
"Other protein kinase NAK family","STE protein kinase STE20 family","CAMK protein kinase PHk family","Atypical protein kinase ABC1 family","TKL protein kinase STKR family","TKL protein kinase RAF fami
ly","AGC protein kinase MAST family","AGC protein kinase RSK family","Tyrosine protein kinase VEGFR family","CMGC protein kinase ERK3","CAMK protein kinase BRSK subfamily","CMGC protein kinase MAK","C
MGC protein kinase HIPK subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinas
e MNK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase PFTAIRE","CMG
C protein kinase Dyrk1 subfamily","CMGC protein kinase Dyrk2 subfamily","Atypical protein kinase RIO2 subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase JNK subfamily","CMGC protein 
kinase PITSLRE subfamily","CMGC protein kinase PCTAIRE","STE protein kinase PAKA subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase TAO subfamily","CAMK protein kinase NuaK subf
amily","TKL protein kinase STKR Type 2 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase ERK5","AGC protein kinase MSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC fami
lies","Receptor kinases","CK1: Casein kinase 1",Atypical,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Mitogen-activated protein kinases (MAP kinases)","CAMK-like (CAMKL) famil
y","RCK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","DMPK family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family"
,"Other protein kinases","Cyclin-dependent kinase-like (CDKL) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CLK family","DCAMKL family","Death-associated kinase
 (DAPK) family","Myosin Light Chain Kinase (MLCK) family","Protein kinase D (PKD) family","RIO family","Glycogen synthase kinase (GSK) family","STE20 family","Phosphorylase kinase (PHK) family","ABC1 
family","CASK family","MAST family","RSK family","ERK subfamily","BRSK subfamily","HIPK subfamily","CDK1 subfamily","Other DMPK family kinases","CDK9 subfamily","Receptor tyrosine kinases (RTKs)","Aur
ora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","MKN subfamily","CDK8 subfamily","CDK7 subfamily","CDK5 subfamily","TAIRE subfamily","Dyrk1 subfamily","Dyrk2 subfamily","Interleukin-1 rec
eptor-associated kinase (IRAK) family","CDK4 subfamily","RIO2 subfamily","GSK subfamily","MELK subfamily","JNK subfamily","PITSLRE subfamily","Unc-51-like kinase (ULK) family","Numb-associated kinase 
(NAK) family","PAKA subfamily","ABC1-B subfamily","TAO subfamily","NuaK subfamily","Erk7 subfamily","Receptor serine/threonine kinase (RSTK) family","AMPK subfamily","RAF family","MSK subfamily","CRK7
 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily","Type II receptor serine/threonine kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family
"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,"Immune System",Metabolism,"Metabolism of RNA","Vesicle-mediated transport","Developmental Biology","Neuronal System",Auto
phagy,"MAPK family signaling cascades","RNA Polymerase II Transcription",Mitotic,"Signaling by Rho GTPases","Infectious disease","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Metabo
lism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","rRNA processing","Membrane Trafficking","Nervous system development","Metabolism of carbohydrates","
Transmission across Chemical Synapses",Macroautophagy,"MAPK6/MAPK4 signaling","Generic Transcription Pathway","Regulation of mitotic cell cycle","RHO GTPase Effectors","HIV Infection","Signaling by In
sulin receptor","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by FGFR","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Mitotic G1 phase and G1/S tran
sition","Sphingolipid metabolism","rRNA processing in the nucleus and cytosol","SARS-CoV Infections","trans-Golgi Network Vesicle Budding","Axon guidance","Glycogen metabolism","Signaling by TGF-beta 
Receptor Complex in Cancer","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by WNT in cancer","M Phase","Selective autophagy","Signaling by VEGF","Tra
nscriptional Regulation by TP53","APC/C-mediated degradation of cell cycle proteins","RHO GTPases activate CIT","HIV Life Cycle","Insulin receptor signalling cascade","G2/M Transition","Toll Like Rece
ptor 4 (TLR4) Cascade","Signaling by FGFR4","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G0 and Early G1","Toll Like Receptor 2 (TLR2) Cascade","Sphingolip
id de novo biosynthesis","G1 Phase","Major pathway of rRNA processing in the nucleolus and cytosol","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","
EPH-Ephrin signaling","Glycogen breakdown (glycogenolysis)","Loss of Function of SMAD2/3 in Cancer","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","RHO GTPases acti
vate PAKs","Signaling by AMER1 mutants","Mitotic Metaphase and Anaphase",Mitophagy,"VEGF ligand-receptor interactions","Regulation of TP53 Activity","Activation of APC/C and APC/C:Cdc20 mediated degra
dation of mitotic proteins","Late Phase of HIV Life Cycle","IRS-mediated signalling","Centrosome maturation","MyD88-independent TLR4 cascade","Negative regulation of FGFR4 signaling","Constitutive Sig
naling by NOTCH1 HD+PEST Domain Mutants","Toll Like Receptor TLR6:TLR2 Cascade","Cyclin D associated events in G1","SARS-CoV-1 Genome Replication and Transcription","MyD88 cascade initiated on plasma 
membrane","Ephrin signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Signalling to ERKs","Assembly and cell surface presentation of NMDA receptors","Truncations of AMER1 destabilize the des
truction complex","Mitotic Anaphase","Receptor Mediated Mitophagy","TP53 Regulates Transcription of DNA Repair Genes","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activit
y through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","PI3K Cascade","Loss of proteins required for interphase microtubule organization fr
om the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Spry regulation of FGF signaling","Regulation of TP53 Expression and Degradation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Re
plication of the SARS-CoV-1 genome","MAP kinase activation","Recruitment of mitotic centrosome proteins and complexes","Prolonged ERK activation events","Separation of Sister Chromatids","APC:Cdc20 me
diated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 com
plex within TLR4 complex","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat
-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1
 Tat","ERKs are inactivated"}

> <broad_targets>
{CDK2,CDK7,CDK9}

> <broad_moa>
{"CDK inhibitor","cell cycle inhibitor","MCL1 inhibitor"}

> <synonyms>
{MS38703,SNS-032,SNS032,345627-80-7,345627807,BMS-387032,BMS387032,"SNS 032","BMS 387032","SNS-032 (BMS-387032)","SNS032 (BMS387032)",UNII-9979I93686,UNII9979I93686,"SNS-032 (hydrochloride)","SNS032 (
hydrochloride)",CHEMBL296468,C17H24N4O2S2,"345627-80-7 (free base)","345627807 (free base)",9979I93686,BMS-387072,BMS387072,Kinome_3820,Kinome3820,Kinome-3820,"Kinome 3820",PubChem16670,Tube004,c,T604
9,S1145,SNS-032(BMS-387032)}

> <pdid>
PD003662

> <targets>
{CDK,Apoptosis}

> <classes>
{Cell Cycle,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3025986}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -5.1072    0.0000    0.0000 C   0  0
   -5.8659   -1.2803    0.0000 O   0  0
   -7.3243   -0.9298    0.0000 C   0  0
   -8.4618   -1.9049    0.0000 C   0  0
   -8.1867   -3.3795    0.0000 O   0  0
   -7.4417    0.5656    0.0000 C   0  0
   -8.7205    1.3496    0.0000 O   0  0
   -6.0557    1.1393    0.0000 C   0  0
   -5.6962    2.5956    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -2.8161   -2.7592    0.0000 N   0  0
   -1.6025   -3.6408    0.0000 C   0  0
   -0.2322   -3.0307    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16  9  1  0
 16 17  1  0
  8 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22  2  1  0
 22 23  2  0
 23  6  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13534

> <plate>
PLATE 003

> <well>
A4

> <supplier_cmpd_name>
Triciribine

> <ctcr_id>
1508

> <supplier_cmpd_id>
T6065

> <smiles>
CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c4ncnc1c24

> <pd_targets>
{POL}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{NSC154020,MLS002702033,"API-2;NSC 154020;TCN","API2;NSC 154020;TCN","Akt/PKB Signaling Inhibitor-2","Akt/PKB Signaling Inhibitor2",NSC-154020,TCN,"Akt Inhibitor V, Triciribine","Akt inhibitor V","tri
cyclic nucleoside (TCN)",SCHEMBL61269,GTPL5920,CHEMBL1892348,CHEBI:91697,HMS3229A09,HMS3268N05,HMS3,T6065,"EMD 124012",EI-332,2151,"NSC 154020",Triciribine,124012,API-2}

> <pdid>
PD011889

> <targets>
{PKB,"Akt signaling pathway",Akt,"DNA/RNA Synthesis",HIV}

> <classes>
{Anti-infection,Cell Cycle/DNA Damage,PI3K/Akt/mTOR}

> <pubchem_cids>
{290486}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
    3.8919   -5.2525    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 N   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 10 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 26  8  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13535

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
PI-103

> <ctcr_id>
3343

> <supplier_cmpd_id>
T6143

> <smiles>
Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2

> <pd_targets>
{CLK4,CDK7,PIP4K2C,JAK1,MYLK,PIK3CA,BRAF,DAPK2,PIK3CD,PIK3R1,RIOK2,PIK3CG,MTOR,PIK3CB,PRKDC,FLT3,TYK2,DYRK1B,PIM3,MAP3K19,PIK3C2B,DAPK3,PIK3C2G,LIMK2,RAF1,CDC42BPA,DAPK1,HIPK2,CSNK2A2,CLK3,DYRK2,PIK3C
2A,CHUK,CLK1,CLK2,CSNK2A1,PI4KB,HIPK3,HIPK1,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","Atypical protein kinase group","STE protein ki
nase group","AGC protein kinase group","Other protein kinase group","CMGC protein kinase CLK family","CMGC protein kinase CDK family","Tyrosine protein kinase JakA family","CAMK protein kinase MLCK fa
mily","TKL protein kinase RAF family","CAMK protein kinase DAPK family","Atypical protein kinase RIO family","Atypical protein kinase PIKK family","Tyrosine protein kinase PDGFR family","CMGC protein 
kinase DYRK family","CAMK protein kinase PIM family","STE protein kinase STE11 family","TKL protein kinase LISK family","AGC protein kinase DMPK family","Other protein kinase CK2 family","Other protei
n kinase IKK family","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO2 subfamily","Atypical protein kinase FRAP subfamily","CMGC protein kinase Dyrk1 subfamily","TKL protein kinase LI
MK subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein
 kinases",Atypical,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CLK family","Cyclin-dependent kinase (CDK) family","Type II PIP kinase
s (1-phosphatidylinositol-5-phosphate 4-kinase family)","TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","TKL: Tyrosine kinase-li
ke","Death-associated kinase (DAPK) family","RIO family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",
"PIM family","STE20 family","Phosphatidylinositol-4-phosphate 3-kinase family","DMPK family","Other protein kinases","1-phosphatidylinositol 4-kinase family","CDK7 subfamily","Non-receptor tyrosine ki
nases (nRTKs)","RAF family","RIO2 subfamily","FRAP subfamily","Other PIKK family kinases","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","STE20 subfamily","LIM domain kinase (LISK) family","GEK 
subfamily","HIPK subfamily","Casein kinase 2 (CK2) family","Dyrk2 subfamily","IKK family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","LIMK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Immune System","Signal Transduction","Programmed Cell Death","Metabolism of RNA",Metabolism,"Developmental Biology","Infectious disease","RNA Polymerase II 
Transcription","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinas
es",Apoptosis,"rRNA processing","Metabolism of lipids","Innate Immune System","Nervous system development","MAPK family signaling cascades","HIV Infection","Generic Transcription Pathway","Interferon 
Signaling","RHO GTPase Effectors","Signaling by FGFR in disease","Signaling by NTRKs","Caspase activation via extrinsic apoptotic signalling pathway","rRNA processing in the nucleus and cytosol","Phos
pholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA","Axon guidance","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","H
IV Life Cycle","Transcriptional Regulation by TP53","Antiviral mechanism by IFN-stimulated genes","RHO GTPases activate PAKs","Signaling by FGFR1 in disease","Signaling by NTRK1 (TRKA)","Caspase activ
ation via Dependence Receptors in the absence of ligand","Major pathway of rRNA processing in the nucleolus and cytosol","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin rec
eptor signalling cascade","STING mediated induction of host immune responses","Interferon alpha/beta signaling","Semaphorin interactions","RAF/MAP kinase cascade","Toll Like Receptor 4 (TLR4) Cascade"
,"Late Phase of HIV Life Cycle","Regulation of TP53 Activity","ISG15 antiviral mechanism","FGFR1 mutant receptor activation","Signalling to ERKs","Synthesis of PIPs at the plasma membrane","Interleuki
n receptor SHC signaling","IRS-mediated signalling","IRF3-mediated induction of type I IFN","Regulation of IFNA signaling","Synthesis of PIPs at the Golgi membrane","Sema4D in semaphorin signaling","N
egative regulation of MAPK pathway","Synthesis of PIPs at the early endosome membrane","MyD88-independent TLR4 cascade","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylati
on","Signaling by cytosolic FGFR1 fusion mutants","Prolonged ERK activation events","Regulation of TP53 Expression and Degradation","PI3K Cascade","Sema4D induced cell migration and growth-cone collap
se","Negative feedback regulation of MAPK pathway","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated TLR4 signaling","HIV Transcription Elongation","PI5P Regulates TP53 Acet
ylation","ARMS-mediated activation","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex
 containing HIV-1 Tat"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{I10,PI-103,PI103,371935-74-9,371935749,"3-(4-morpholinopyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol","3(4morpholinopyrido(3',2':4,5)furo(3,2d)pyrimidin2yl)phenol","PI 103",UNII-YQX02F616F,UNIIYQ
X02F616F,"Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-","Phenol, 3(4(4morpholinyl)pyrido(3',2':4,5)furo(3,2d)pyrimidin2yl)",PIK-103,PIK103,YQX02F616F,CHEBI:90524,3-(4-(4-Mo
rpholinyl)pyri,3(4(4Morpholinyl)pyri,T6143,"EMD 528100","Se S1038",528100}

> <pdid>
PD003364

> <targets>
{PI3K,MTOR,"DNA PK","PI3K CLASS I"}

> <classes>
{}

> <pubchem_cids>
{9884685}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 35  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 N   0  0
   -1.3034   -3.7547    0.0000 C   0  0
    0.0488   -3.7791    0.0000 C   0  0
    0.7466   -4.8860    0.0000 N   0  0
    0.4044   -6.4977    0.0000 C   0  0
   -1.0330   -6.5013    0.0000 C   0  0
   -0.5907   -4.9503    0.0000 C   0  0
    1.1704   -4.4619    0.0000 C   0  0
    2.3234   -4.6798    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.5492   -0.8815    0.0000 N   0  0
   -7.5504   -1.9974    0.0000 C   0  0
   -9.0504   -1.9998    0.0000 C   0  0
   -9.7983   -3.3000    0.0000 C   0  0
   -9.0462   -4.5979    0.0000 C   0  0
   -7.5462   -4.5955    0.0000 C   0  0
   -6.7983   -3.2953    0.0000 C   0  0
   -5.3323   -2.9815    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 10 20  1  0
 20  5  1  0
 20 21  2  0
 21  2  1  0
  9 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13536

> <plate>
PLATE 003

> <well>
A6

> <supplier_cmpd_name>
CHIR-124

> <ctcr_id>
6676

> <supplier_cmpd_id>
T6350

> <smiles>
Clc1ccc2NC(=O)C(=C(NC3CN4CCC3CC4)c2c1)c5[nH]c6ccccc6n5

> <pd_targets>
{CHEK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHEK1}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{HIR12,SCHEMBL15105373,HMS3656F13,FT-0771009,FT0771009,T6350,S2683,CHIR-124}

> <pdid>
PD005860

> <targets>
{Chk}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{135674135}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    3.3031   -3.1008    0.0000 F   0  0
    1.8032   -3.1233    0.0000 C   0  0
    1.0340   -4.4110    0.0000 F   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  2  1  0
  8 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  2  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13537

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
AS-604850

> <ctcr_id>
7764

> <supplier_cmpd_id>
T6394

> <smiles>
FC1(F)Oc2ccc(cc2O1)/C=C/3SC(=O)NC3=O

> <pd_targets>
{PIK3CA,NPC1,PIK3CG,RAB9A}

> <pathway_gtopdb>
{Enzyme,Transporter,Transferase,Hydrolase}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Lipid modifying kinases","SLC65 NPC-type cholesterol transporters",Phosphatidylinositol-4,"5-bisphosphate 3-kinase fa
mily"}

> <pathway_reactome>
{Disease,"Transport of small molecules",Metabolism,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Plasma lipoprotein assembly",remodeling,"an
d clearance","Metabolism of lipids","Signaling by Rho GTPases","Signaling by FGFR in disease","Plasma lipoprotein clearance","Phospholipid metabolism","Rho GTPase cycle","Signaling by FGFR1 in disease
","LDL clearance","PI Metabolism","RHOBTB GTPase Cycle","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","RHOBTB3 ATPase cycle","Signaling by cytosolic FGFR1 fusion mutant
s"}

> <broad_targets>
{PIK3CA,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{S60485,"S 60485",AS-604850,AS604850,"AS 604850",648449-76-7,648449767,"648449 76 7","PI 3-Kgamma Inhibitor II","PI 3Kgamma Inhibitor II","PI 3 Kgamma Inhibitor II","PI 3-Kg inhibitor II","PI 3Kg inhi
bitor II","PI 3 Kg inhibitor II","PI3Kgamma in","EMD 528108",528108}

> <pdid>
PD005127

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5287855}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 42 47  0  0  0  0            999 V2000
    4.8817   -2.5602    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1977    2.9828    0.0000 N   0  0
   -5.1903    1.4820    0.0000 C   0  0
   -3.8874    0.7388    0.0000 O   0  0
   -6.4859    0.7245    0.0000 C   0  0
   -6.4808   -0.7756    0.0000 C   0  0
   -7.7772   -1.5301    0.0000 C   0  0
   -9.0789   -0.7846    0.0000 C   0  0
  -10.3775   -1.5369    0.0000 O   0  0
  -11.6788   -0.7892    0.0000 C   0  0
  -12.9775   -1.5414    0.0000 C   0  0
  -14.2788   -0.7937    0.0000 N   0  0
  -15.5779   -1.5437    0.0000 C   0  0
  -16.8770   -0.7937    0.0000 C   0  0
  -16.8770    0.7063    0.0000 O   0  0
  -15.5780    1.4563    0.0000 C   0  0
  -14.2789    0.7064    0.0000 C   0  0
   -9.0841    0.7154    0.0000 C   0  0
   -7.7877    1.4699    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    4.0417   -4.4399    0.0000 N   0  0
    4.4674   -5.8782    0.0000 O   0  0
    3.2310   -6.7275    0.0000 N   0  0
    2.0412   -5.8141    0.0000 C   0  0
    0.6002   -6.2308    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 19 29  1  0
 29 30  2  0
 30 16  1  0
 12 31  2  0
 31  8  1  0
  6 32  2  0
 32 33  1  0
 33 34  2  0
 34  4  1  0
 34 35  1  0
 35 36  2  0
 36  3  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 37  1  0
 41 42  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13538

> <plate>
PLATE 003

> <well>
A8

> <supplier_cmpd_name>
GSK269962A

> <ctcr_id>
2700

> <supplier_cmpd_id>
T3518

> <smiles>
CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)ncc2nc1c6nonc6N

> <pd_targets>
{STK17A,CDC42BPA,RPS6KA5,PRKD2,SRPK1,MKNK2,TSSK1B,HIPK2,MARK2,PRKCD,AURKA,DAPK3,PKN2,PRKCI,HIPK4,AKT2,GSK3A,ROCK2,ROCK1,PRKG1,MARK3,SGK2,SLK,FLT4,AKT1,AKT3,RPS6KA1,PLK4,PRKX,PRKD3,PRKACA,MAP4K5,CDK2,R
PS6KA3,PIM3,FLT3,CDC7,PRKCG,PIM1,CLK4,PRKCZ,LCK,AURKB,PRKG2,RPS6KB1,CAMK2B,GSK3B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","AGC protein kinase group","CMGC protein kinase group","Other protein kinase group","STE protein kinase group","TK protein kinase group","CA
MK protein kinase DAPK family","AGC protein kinase DMPK family","AGC protein kinase RSK family","CAMK protein kinase PKD family","CMGC protein kinase SRPK family","CAMK protein kinase MAPKAPK family",
"CAMK protein kinase TSSK family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 family","AGC protein kinase PKC family","Other protein kinase AUR family","AGC protein kinase PKN family"
,"AGC protein kinase AKT family","CMGC protein kinase GSK family","AGC protein kinase PKG family","AGC protein kinase SGK family","STE protein kinase STE20 family","Tyrosine protein kinase VEGFR famil
y","Other protein kinase PLK family","AGC protein kinase PKA family","CMGC protein kinase CDK family","CAMK protein kinase PIM family","Tyrosine protein kinase PDGFR family","Other protein kinase CDC7
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK2 family","AGC protein kinase GEK subfamily","AGC protein kinase MSK subfamily","CAMK protein ki
nase MNK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC iota subfamily","AGC protein kinase ROCK 
subfamily","STE protein kinase SLK subfamily","AGC protein kinase RSK subfamily","STE protein kinase KHS subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase PKC alpha subfamily","AGC p
rotein kinase p70 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK fami
lies","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Death-associated kinase (DAPK) family","DMPK family","RSK family","Protein kinase D (PKD) family","SRPK f
amily","MAPK-Activated Protein Kinase (MAPKAPK) family","Testis specific kinase (TSSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family"
,"Protein kinase C (PKC) family","Other protein kinases","Protein kinase N (PKN) family","Akt (Protein kinase B","PKB) family","Glycogen synthase kinase (GSK) family","Protein kinase G (PKG) family","
SGK family","STE20 family","TK: Tyrosine kinase","Protein kinase A (PKA) family","Cyclin-dependent kinase (CDK) family","PIM family","CLK family","CAMK2 family","GEK subfamily","MSK subfamily","MKN su
bfamily","HIPK subfamily","MARK subfamily","Delta subfamily","Aurora kinase (Aur) family","Iota subfamily","GSK subfamily","Rho kinase","SLK subfamily","Receptor tyrosine kinases (RTKs)","RSK subfamil
y","Polo-like kinase (PLK) family","KHS subfamily","CDK1 subfamily","CDC7 family","Alpha subfamily","Non-receptor tyrosine kinases (nRTKs)","p70 subfamily","Type IV RTKs: VEGF (vascular endothelial gr
owth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Gene expression (Transcription)","Signal Transduction","Programmed Cell Death",Disease,"Developmental Biology",Hemostasis,"Transport of small molecules","Cell Cycle","Neur
onal System","Innate Immune System","Metabolism of lipids","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Apoptosis,"Signaling by Rho GTPases","Death Receptor Signall
ing","Signaling by Receptor Tyrosine Kinases","Infectious disease","Nervous system development","Platelet homeostasis","Diseases of signal transduction by growth factor receptors and second messengers
","Ion channel transport",Mitotic,"Transmission across Chemical Synapses","Signaling by Nuclear Receptors","MAPK family signaling cascades","MTOR signalling","Toll-like Receptor Cascades","Sphingolipi
d metabolism","Generic Transcription Pathway","DAG and IP3 signaling","Caspase activation via extrinsic apoptotic signalling pathway","RHO GTPase Effectors","p75 NTR receptor-mediated signalling","Sig
naling by Insulin receptor","SARS-CoV Infections","Axon guidance","Nitric oxide stimulates guanylate cyclase","Oncogenic MAPK signaling","Stimuli-sensing channels","Signaling by VEGF","Mitotic G2-G2/M
 phases","Leishmania infection","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","FLT3 signaling in disease","ESR-mediated signaling","HIV Infec
tion","M Phase","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Toll Like Receptor 5 (TLR5) Cascade","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53","CaM pathway","Caspa
se activation via Dependence Receptors in the absence of ligand","RHO GTPases activate PKNs","p75NTR signals via NF-kB","Insulin receptor signalling cascade","SARS-CoV-1 Infection","Semaphorin interac
tions","cGMP effects","Signaling by RAS mutants","VEGF ligand-receptor interactions","G2/M Transition","Leishmania parasite growth and survival","G1/S Transition","Glutamate binding","activation of AM
PA receptors and synaptic plasticity","Signaling by FLT3 ITD and TKD mutants","Extra-nuclear estrogen signaling","Host Interactions of HIV factors","Mitotic Metaphase and Anaphase","RAF/MAP kinase cas
cade","Activation of NMDA receptors and postsynaptic events","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Calmodulin induced events","p75NTR recruits signalling complexe
s","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","Sema4D in semaphorin signaling","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerizat
ion","Centrosome maturation","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Trafficking of AMPA receptors","STAT5 activation downstre
am of FLT3 ITD mutants","Estrogen-stimulated signaling through PRKCZ","The role of Nef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","RAS processing","Post NMDA receptor activation
 events","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","PI3K Cascade","Replication of the SARS-CoV-1 genome","Sema4D induced cell migration and growth-cone collapse","R
egulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","ADORA2B mediated anti-inflammatory cytokines production","Traffic
king of GluR2-containing AMPA receptors","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","CREB1 phosphorylation throu
gh NMDA receptor-mediated activation of RAS signaling","MAPK targets/ Nuclear events mediated by MAP kinases","PKB-mediated events","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosom
es","Nef Mediated CD4 Down-regulation","Ras activation upon Ca2+ influx through NMDA receptor","CREB phosphorylation","PDE3B signalling"}

> <broad_targets>
{ROCK1,ROCK2}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{GSK269962A,850664-21-0,850664210,GSK269962,"GSK 269962",GSK-269962A,"GSK 269962A","Aminofurazanyl-azabenzimidazole 6n","Aminofurazanylazabenzimidazole 6n",925213-63-4,925213634,"850664-21-0 (free bas
e)","850664210 (free base)","CID 16095342",Kinome_3843,Kinome3843,Kinome-3843,"Kinome 3843",MLS006010261,"ROCK inhibitor GS269962A",CHEMBL220241,GTPL8037,SCHEM,T3518,nan}

> <pdid>
PD003281

> <targets>
{ROCK,ROCK1,"ROCK-1/-2 Inhibitor"}

> <classes>
{Cell Cycle/DNA Damage,Cytoskeleton,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{16095342}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    5.2013    1.4971    0.0000 F   0  0
    3.9015    0.7483    0.0000 C   0  0
    2.6034    1.5000    0.0000 F   0  0
    3.9032    2.2483    0.0000 F   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 C   0  0
   -5.4984   -5.5497    0.0000 C   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -5.2447   -3.1360    0.0000 S   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 22  1  0
 19 27  2  0
 27 11  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13539

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
NIH-12848

> <ctcr_id>
12155

> <supplier_cmpd_id>
T3556

> <smiles>
FC(F)(F)c1ccccc1c1nc2ccccc2c(NCc2cccs2)n1

> <pd_targets>
{CYP1A2,CYP2D6,CYP3A4,LMNA,TSHR,CYP2C19,PIP4K2C,USP1,WDR48,ALDH1A1,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor",Transferase,Protease,Oxidoreductase,Reader,"Cytochrome P450 family 1"
,"Cytochrome P450 family 2","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cysteine protease",Bromodomain,"Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 famil
y 3A","Glycohormone receptor","Cytochrome P450 family 2C","Cysteine protease CA clan","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19","Cysteine protease C19 fa
mily"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","CYP1 family","CYP2 family: drug metabolising subset","CYP3 family","Glycoprotein hormone receptors","Lipid mo
difying kinases","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Gene expression (Transcription)","Biological oxidations","Metabolism of lipids",Mitotic,"Infectious disease","RNA Polymerase II Transcription","Phase I - Functionaliz
ation of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Generic Transcription Pathway","Cytochrome P450 - arranged by substrate type","Biosynt
hesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Ethanol oxidation",Xenobiotics,"Biosynthesis of maresins","M
itotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions
","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Activity through Acetylation","Initiation of Nucl
ear Envelope (NE) Reformation","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IH1284,NIH-12848,NIH12848,959551-10-1,959551101,CHEMBL1529478,N-(Thiophen-2-ylmethyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-4-amine,N(Thiophen2ylmethyl)2(2(trifluoromethyl)phenyl)quinazolin4amine,N
-(thiophen-2-ylmethyl)-2-(2-(trifluoromethyl)phenyl)quinazolin-4-amine,N(thiophen2ylmethyl)2(2(trifluoromethyl)phenyl)quinazolin4amine,NCGC00012848-02,NCGC0001284802,NCGC00012848,BCP20771,EX-A4544,EXA
4544,PCOP-954689,PCOP954689,ZINC42,T3556}

> <pdid>
PD063686

> <targets>
{PI5P4K¦Ã}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{3235425}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 56 62  0  0  1  0            999 V2000
    5.2057   -0.0033    0.0000 C   0  0
    6.5028   -0.7566    0.0000 C   0  0  2  0  0  0
    6.5066    0.7434    0.0000 C   0  0
    7.8075    1.4901    0.0000 C   0  0
    9.1047    0.7368    0.0000 C   0  0  1  0  0  0
    9.1009   -0.7632    0.0000 C   0  0
    7.7999   -1.5099    0.0000 C   0  0  2  0  0  0
    7.7961   -3.0099    0.0000 C   0  0
    6.4952   -3.7566    0.0000 C   0  0
    5.1981   -3.0033    0.0000 C   0  0  2  0  0  0
    5.2019   -1.5033    0.0000 C   0  0  2  0  0  0
    3.9047   -0.7500    0.0000 C   0  0
    2.6038   -1.4967    0.0000 C   0  0
    2.6000   -2.9967    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
    3.8933   -5.2500    0.0000 C   0  0
    2.5924   -5.9967    0.0000 C   0  0
    1.2953   -5.2434    0.0000 C   0  0  2  0  0  0
    1.2991   -3.7434    0.0000 C   0  0  1  0  0  0
    0.0019   -2.9901    0.0000 C   0  0
   -1.2990   -3.7368    0.0000 C   0  0
   -1.3028   -5.2368    0.0000 C   0  0
   -0.0057   -5.9901    0.0000 C   0  0
   -1.2598   -2.2373    0.0000 C   0  0
   -2.5821   -4.5139    0.0000 C   0  0
    2.7739   -4.9865    0.0000 C   0  0
    3.1180   -4.0476    0.0000 O   0  0
    3.7365   -6.1381    0.0000 O   0  0
    3.2214   -7.5477    0.0000 C   0  0  1  0  0  0
    1.7443   -7.8094    0.0000 C   0  0  1  0  0  0
    1.2324   -9.2194    0.0000 C   0  0  2  0  0  0
    2.1974  -10.3677    0.0000 C   0  0  1  0  0  0
    3.6745  -10.1061    0.0000 C   0  0  2  0  0  0
    4.1864   -8.6961    0.0000 O   0  0
    4.6377  -11.2570    0.0000 C   0  0
    4.1237  -12.6662    0.0000 O   0  0
    1.8561  -11.3076    0.0000 O   0  0
   -0.2446   -9.4810    0.0000 O   0  0
    0.7792   -6.6611    0.0000 O   0  0
    4.7619   -4.2522    0.0000 C   0  0
    5.1955   -4.0033    0.0000 C   0  0
    9.0747   -1.7628    0.0000 C   0  0
   10.3839    0.0139    0.0000 C   0  0
   10.4048    1.4866    0.0000 O   0  0
   10.4065    2.9874    0.0000 C   0  0  1  0  0  0
   11.7048    3.7387    0.0000 C   0  0  1  0  0  0
   11.7034    5.2387    0.0000 C   0  0  2  0  0  0
   10.4037    5.9875    0.0000 C   0  0  1  0  0  0
    9.1053    5.2363    0.0000 C   0  0  2  0  0  0
    9.1067    3.7363    0.0000 O   0  0
    7.8064    5.9882    0.0000 C   0  0
    7.8072    7.4882    0.0000 O   0  0
    6.5068    5.2393    0.0000 O   0  0
   10.4023    7.4875    0.0000 O   0  0
   13.0018    5.9899    0.0000 O   0  0
   13.0046    2.9900    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11 12  1  6
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 21 24  1  0
 21 25  1  0
 18 26  1  6
 26 27  2  0
 26 28  1  0
 29 28  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 33 35  1  6
 35 36  1  0
 32 37  1  1
 31 38  1  6
 30 39  1  1
 15 40  1  1
 10 41  1  6
  6 42  1  0
  6 43  1  0
  5 44  1  6
 45 44  1  6
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 45  1  0
 49 51  1  6
 51 52  2  0
 51 53  1  0
 48 54  1  1
 47 55  1  6
 46 56  1  1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13540

> <plate>
PLATE 003

> <well>
A10

> <supplier_cmpd_name>
Chikusetsusaponin IVa

> <ctcr_id>
11815

> <supplier_cmpd_id>
T3863

> <smiles>
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chikusetsusaponin iva","Calenduloside F",51415-02-2,51415022,"Chikusetsu saponin iva",Chikusetsusaponin-IVa,ChikusetsusaponinIVa,UNII-T3FU6ZPR5V,UNIIT3FU6ZPR5V,T3FU6ZPR5V,CHEBI:67977,"Chikusetsu sap
onin a",SCHEMBL2987898,CHEMBL1095348,HY-N0818,HYN0818,s9116,ZINC85643466,AKOS03751467,T3863,"Chikusetsusaponin IVa"}

> <pdid>
PD052576

> <targets>
{AMPK}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{13909684}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    4.6580    2.9476    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.1885    3.7539    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 N   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 N   0  0
    1.3026   -5.2488    0.0000 N   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 11 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13541

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
VS-5584

> <ctcr_id>
12201

> <supplier_cmpd_id>
T6103

> <smiles>
CC(C)n1c(C)nc2c1nc(nc2c1cnc(N)nc1)N1CCOCC1

> <pd_targets>
{PIK3CA,PIK3CD,PIK3CB,MTOR,PIK3CG,JAK3,JAK2,JAK1,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","TK protein kinase group","Atypical protein kinase PIKK family","Tyrosine protein kinase JakA family","Atypical protein kina
se FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases",Atypical,"Receptor kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' 
kinase-related kinases (PIKK) family","TK: Tyrosine kinase","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{Disease,"Immune System","Signal Transduction","Gene expression (Transcription)",Metabolism,"Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Si
gnaling in Immune system","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Metabolism of lipids",Mitotic,"Signaling by FGFR in disease","Signaling by Interleukins","Signalin
g by Insulin receptor","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G1 phase and G1/S transition","Interferon Signaling","Signaling by FGFR1 in disease",Interleukin-3,"Interleuki
n-5 and GM-CSF signaling","Insulin receptor signalling cascade","Transcriptional Regulation by TP53","PI Metabolism","Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated 
genes","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","IRS-mediated signalling","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Interleukin-15 signal
ing","Cyclin D associated events in G1","ISG15 antiviral mechanism","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Expression and Degradation","Regulation of TP53 Deg
radation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{S558,VS-5584,VS5584,1246560-33-7,1246560337,5-(9-Isopropyl-8-methyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine,5(9Isopropyl8methyl2morpholino9Hpurin6yl)pyrimidin2amine,"VS-5584 (SB2343)","VS5584 (S
B2343)",SB2343,SB-2343,UNII-W71J4X250V,UNIIW71J4X250V,5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine,5(8methyl2morpholin4yl9propan2ylpurin6yl)pyrimidin2amine,CHEMBL3393066,W71J
4X250V,C17H22N8O,5,T6103}

> <pdid>
PD010651

> <targets>
{mTOR,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä,PI3K}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{46912230}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    5.1065    0.0000    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2507    0.0000 C   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
    1.2949    8.2554    0.0000 C   0  0
    2.5956    7.5083    0.0000 O   0  0
    1.2921    9.7554    0.0000 C   0  0
    2.5924    9.0081    0.0000 C   0  0
   -1.3039    8.2509    0.0000 C   0  0
   -2.6017    7.4988    0.0000 N   0  0
   -2.5993    5.9988    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0  2  0  0  0
    5.6608    1.8315    0.0000 C   0  0
    5.1253    4.3743    0.0000 O   0  0
    6.5929    4.6844    0.0000 C   0  0
    3.1882   -2.6401    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 11 16  2  0
 16 17  1  0
 17 18  2  0
 18  9  1  0
  8 19  2  0
 19 20  1  0
 20 21  2  0
 21  6  1  0
 21 22  1  0
 22 23  2  0
 23  4  1  0
  5 24  1  0
 24  2  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  1
 26 28  1  0
 28 29  1  0
  3 30  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13542

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
LY3023414

> <ctcr_id>
11650

> <supplier_cmpd_id>
T6883

> <smiles>
O=c1n(c2c(c3cc(c4cc(C(O)(C)C)cnc4)ccc3nc2)n1C[C@H](C)OC)C

> <pd_targets>
{MTOR,PIK3CB,PIK3CD,PIK3CA,PIK3CG,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfami
ly"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Immune System",Disease,Metabolism,"RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune sys
tem","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by Interleukin
s","Signaling by FGFR in disease","Phospholipid metabolism","Transcriptional Regulation by TP53","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by 
FGFR1 in disease","PI Metabolism","Regulation of TP53 Activity","IRS-mediated signalling","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membr
ane","Regulation of TP53 Expression and Degradation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{Samotolisib,LY3023414,1386874-06-1,1386874061,LY-3023414,GTPL8918,UNII-C88817F47Y,UNIIC88817F47Y,"Samotolisib (USAN)",C88817F47Y,"LY 3023414","example 1 (US8440829)",CHEMBL4297181,SCHEMBL10321700,BCP
16703,EX-A2728,EXA2728,NSC789968,NSC800994,s8322,"WHO 10889",ZINC143116580,CCG-2,CCG2,T6883}

> <pdid>
PD050494

> <targets>
{mTOR,PI3K,DNA-PK,"mTOR kinase","class I PI3K isoforms",Autophagy}

> <classes>
{DNA Damage/DNA Repair,PI3K/Akt/mTOR signaling,Autophagy,Cell Cycle/DNA Damage,PI3K/Akt/mTOR}

> <pubchem_cids>
{57519748}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 N   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 N   0  0
   -0.6890    4.0818    0.0000 C   0  0
   -0.2237    5.5078    0.0000 C   0  0
   -2.1567    3.7722    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14  7  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 16 23  2  0
 23  6  1  0
  5 24  1  0
 24 25  2  0
 25  2  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13543

> <plate>
PLATE 003

> <well>
B3

> <supplier_cmpd_name>
Desmethyl-VS-5584

> <ctcr_id>
12200

> <supplier_cmpd_id>
T4199

> <smiles>
Nc1ncc(c2c3ncn(C(C)C)c3nc(N3CCOCC3)n2)cn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ESMETHYLVS558,1246535-95-4,1246535954,5-(9-isopropyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine,5(9isopropyl2morpholino9Hpurin6yl)pyrimidin2amine,Desmethyl-VS-5584,DesmethylVS5584,"Desmethyl VS-558
4","Desmethyl VS5584",5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine,5(2morpholin4yl9propan2ylpurin6yl)pyrimidin2amine,5-(9-(1-Methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl)-2-pyrimidi,5
(9(1Methylethyl)2(4morpholinyl)9Hpurin6yl)2pyrimidi,T4199}

> <pdid>
PD087494

> <targets>
{mTOR,PI3K}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{70224122}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 47 51  0  0  0  0            999 V2000
    7.7938   -3.0152    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 N   0  0
   -6.4786   -1.4410    0.0000 C   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -5.1513   -4.4224    0.0000 O   0  0
   -2.9095   -2.9665    0.0000 N   0  0
   -1.9052   -4.0817    0.0000 C   0  0
   -0.4237   -3.8808    0.0000 C   0  0
    0.4933   -5.0678    0.0000 C   0  0
   -0.0761   -6.4555    0.0000 C   0  0
    0.8414   -7.6431    0.0000 N   0  0
    2.3283   -7.4449    0.0000 C   0  0
    3.2434   -8.6334    0.0000 C   0  0
    2.6718  -10.0201    0.0000 N   0  0
    1.1850  -10.2185    0.0000 C   0  0
    0.2698   -9.0300    0.0000 C   0  0
   -1.5627   -6.6562    0.0000 C   0  0
   -2.4797   -5.4692    0.0000 C   0  0
   -2.1324   -8.0446    0.0000 C   0  0
   -1.2161   -9.2322    0.0000 F   0  0
   -3.1235   -8.1781    0.0000 F   0  0
   -2.5125   -8.9696    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2915   -2.2136    0.0000 O   0  0
   10.2915   -3.7136    0.0000 C   0  0
    8.9923   -4.4632    0.0000 O   0  0
   11.5915   -4.4636    0.0000 C   0  0
   12.8915   -3.7136    0.0000 C   0  0
   14.1915   -4.4636    0.0000 C   0  0
   15.4908   -3.7140    0.0000 O   0  0
   14.1915   -5.9636    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 20 37  1  0
 37 15  2  0
 37 38  1  0
 38 12  1  0
 38 39  2  0
 39  9  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  2  3
 44 45  1  0
 45 46  2  0
 45 47  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13544

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
BGT226

> <ctcr_id>
3387

> <supplier_cmpd_id>
T6072

> <smiles>
COc1ccc(cn1)c2ccc3ncc4N(C)C(=O)N(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2.OC(=O)C=CC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{VPBGT22,BGT226,"NVP-BGT226 (BGT226","NVPBGT226 (BGT226",HMS3656L21,HMS3672I05,BCP03599,AK175526,T6072,S2749,NVP-BGT226,"BGT226 (NVP-BGT226)"}

> <pdid>

> <targets>
{PI3K,mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{66870970}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -9.0896   -3.7598    0.0000 O   0  0
   -9.0851   -5.2597    0.0000 C   0  0
   -9.0944   -0.7536    0.0000 O   0  0
   -9.0946    0.7464    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 10  1  0
 15 16  2  0
 16  7  1  0
 13 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 19 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13545

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
BQR-695

> <ctcr_id>
12221

> <supplier_cmpd_id>
T4220

> <smiles>
CNC(=O)CNc1cnc2ccc(cc2n1)c1cc(c(cc1)OC)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{QR69,BQR-695,BQR695,1513879-21-4,1513879214,NVP-BQR695,NVPBQR695,"2-((7-(3,4-dimethoxyphenyl)quinoxalin-2-yl)amino)-N-methylacetamide","2((7(3,4dimethoxyphenyl)quinoxalin2yl)amino)Nmethylacetamide","
N~2~-(7-(3,4-Dimethoxyphenyl)quinoxalin-2-Yl)-N-Methylglycinamide","N~2~(7(3,4Dimethoxyphenyl)quinoxalin2Yl)NMethylglycinamide",CHEMBL4129665,BCP28971,s6571,CS-8070,CS8070,BS-15170,BS15170,HY-18748,HY
18748,A16938,Q2745851,T4220}

> <pdid>
PD078509

> <targets>
{PI3KIII¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{112499905}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    3.9200   -5.8774    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 O   0  0
    6.4458   -1.8433    0.0000 C   0  0
    7.4106   -2.9853    0.0000 C   0  0
    8.8868   -2.7191    0.0000 N   0  0
    9.3943   -1.3075    0.0000 C   0  0
    8.4256   -0.1623    0.0000 C   0  0
    6.9494   -0.4285    0.0000 N   0  0
    8.9334    1.2500    0.0000 C   0  0
   10.3656    1.6508    0.0000 N   0  0
   10.4097    3.1502    0.0000 N   0  0
    8.9974    3.6554    0.0000 C   0  0
    8.0804    2.4683    0.0000 O   0  0
    8.5765    5.0933    0.0000 C   0  0
    9.6118    6.1787    0.0000 C   0  0
    7.1189    5.4477    0.0000 C   0  0
    8.1544    6.5327    0.0000 C   0  0
   10.8705   -1.0413    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  3  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
  4 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 22 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13546

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
AZD8835

> <ctcr_id>
12238

> <supplier_cmpd_id>
T6774

> <smiles>
CCn1c(nc(n1)C1CCN(CC1)C(=O)CCO)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N

> <pd_targets>
{PIK3CB,PIK3CA,PIK3CG,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Immune System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lip
ids","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Signaling by FGFR in disease","Phospholipid metabolism","Signaling by Interleukins","Insulin receptor signalling cascade","S
ignaling by FGFR1 in disease","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane"
,"Interleukin receptor SHC signaling","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{PIK3CA,PIK3CD}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{AZD8835,AZD-8835,1620576-64-8,1620576648,"AZD 8835",UNII-8B97A88D35,UNII8B97A88D35,8B97A88D35,"compound 25 (PMID: 26475521)",GTPL8915,CHEMBL3894518,SCHEMBL15877923,"AZD 8835 (WHO-DD)","AZD 8835 (WHOD
D)",BDBM185362,BCP20347,EX-A2295,EXA2295,NSC786099,s7966,ZINC145460849,CCG-269444,CCG269444,CS-4984,CS4984,NSC-786099,T6774}

> <pdid>
PD012802

> <targets>
{PI3K,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{76685059}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -9.1031    5.2364    0.0000 N   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -5.2078    5.9992    0.0000 C   0  0
   -3.9051    5.2554    0.0000 C   0  0
   -2.6096    6.0116    0.0000 C   0  0
   -1.3070    5.2679    0.0000 F   0  0
   -2.6168    7.5116    0.0000 C   0  0
   -1.3213    8.2678    0.0000 O   0  0
   -3.9194    8.2554    0.0000 C   0  0
   -3.9265    9.7554    0.0000 F   0  0
   -5.2148    7.4992    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  2  0
 28 20  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13547

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
LJH685

> <ctcr_id>
12801

> <supplier_cmpd_id>
T6877

> <smiles>
CN1CCN(CC1)c1ccc(cc1)c1ccncc1c1cc(F)c(O)c(F)c1

> <pd_targets>
{RPS6KA3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase RSK family","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","RSK family","RSK subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LJH685,1627710-50-2,1627710502,LJH-685,"2,6-Difluoro-4-(4-(4-(4-Methylpiperazin-1-Yl)phenyl)pyridin-3-Yl)phenol","2,6Difluoro4(4(4(4Methylpiperazin1Yl)phenyl)pyridin3Yl)phenol",UNII-27CZQ807C1,UNII27
CZQ807C1,CHEMBL3604793,"LJH 685",27CZQ807C1,"2,6-Difluoro-4-(4-(4-(4-methyl-1-piperazinyl)phenyl)-3-pyridinyl)-phenol","2,6Difluoro4(4(4(4methyl1piperazinyl)phenyl)3pyridinyl)phenol",2,6-difluoro-4-(4
-(,6difluoro4(4(,T6877}

> <pdid>
PD071553

> <targets>
{"S6 Kinase",RSK1,RSK2,RSK3}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{73010393}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 N   0  3
   -1.2737   -8.2485    0.0000 O   0  0
   -3.8715   -8.2616    0.0000 O   0  5
    0.0000    3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 10 24  1  0
M  CHG  2  21   1  23  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13548

> <plate>
PLATE 003

> <well>
B8

> <supplier_cmpd_name>
Autophinib

> <ctcr_id>
11509

> <supplier_cmpd_id>
T4219

> <smiles>
Cc1cc(n[nH]1)Nc1cc(nc(n1)Oc1ccc(cc1)[N+](=O)[O-])Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Autophinib,1644443-47-9,1644443479,6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine,6chloroN(5methyl1Hpyrazol3yl)2(4nitrophenoxy)pyrimidin4amine,6-Chloro-N-(5-methyl-1H-pyraz
ol-3-yl)-2-(4-nitrophenoxy)-pyrimidinamine,6ChloroN(5methyl1Hpyrazol3yl)2(4nitrophenoxy)pyrimidinamine,BCP25844,EX-A1537,EXA1537,s8596,ZB1499,CCG-267994,CCG267994,CS-7665,CS7665,BS-16113,BS16113,HY-10
1920,HY101920,AK007,T4219}

> <pdid>
PD063771

> <targets>
{Autophagy,PI3K,"rapamycin-induced autophagy","starvation-induced autophagy",VPS34}

> <classes>
{Autophagy,PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{129626605}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4924   -3.7566    0.0000 Cl  0  0
    5.1969   -1.5045    0.0000 C   0  0
    6.4963   -0.7535    0.0000 N   0  0
    6.4965    0.7473    0.0000 S   0  0
    7.7952    1.4979    0.0000 O   0  0
    5.1974    1.4971    0.0000 O   0  0
    6.4961    2.2473    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    3.8837    8.2630    0.0000 Cl  0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 F   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
  5 11  1  0
 11 12  2  0
 12  1  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 18  1  0
 16 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 15  1  0
 29 30  1  0
 30 31  2  0
 31 13  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13549

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
MTX-211

> <ctcr_id>
11556

> <supplier_cmpd_id>
T4296

> <smiles>
c1nc(Cl)c(NS(=O)(=O)C)cc1c1cc2c(Nc3cc(Cl)c(F)cc3)ncnc2cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{TX21,MTX-211,MTX211,1952236-05-3,1952236053,SCHEMBL17845979,AMY16799,BCP25988,EX-A1821,EXA1821,"MTX 211?",MTX-211?,MTX211?,NSC787583,NSC803248,s6541,CS-7929,CS7929,NSC-787583,NSC-803248,AC-30347,AC30
347,HY-107364,HY107364,"MTX-211; MTX211; MTX 211,1952236-05-3","MTX211; MTX211; MTX 211,1952236053",ClC1=NC=C(C=C1NS(=O)(=O)C)C=1C=C2C(=NC=NC,T4296}

> <pdid>
PD087516

> <targets>
{EGFR,PI3K}

> <classes>
{Angiogenesis,"PI3K/Akt/mTOR signaling","JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{121416213}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5532    4.4223    0.0000 O   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.6890    4.0818    0.0000 C   0  0
    0.2234    5.5086    0.0000 C   0  0
    1.1079    6.7043    0.0000 C   0  0
    0.2222    7.9149    0.0000 C   0  0
   -1.2028    7.4466    0.0000 C   0  0
   -1.1979    5.9466    0.0000 N   0  0
    2.1567    3.7722    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2948   -3.7516    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 12 18  1  0
  7 19  1  0
 19 20  2  0
 20  4  1  0
  2 21  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13550

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
BX-517

> <ctcr_id>
12887

> <supplier_cmpd_id>
T4046

> <smiles>
O=C(Nc1cc2c(NC(=O)/C/2=C(\c2ccc[nH]2)/C)cc1)N

> <pd_targets>
{PDPK1,AKT2,AKT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase PDK1 subfamily","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","PDK1 family","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Insulin receptor","Tra
nscriptional Regulation by TP53","Insulin receptor signalling cascade","Regulation of TP53 Activity","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulatio
n of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X51,BX-517,BX517,850717-64-5,850717645,UNII-SYV8VN8W5K,UNIISYV8VN8W5K,SYV8VN8W5K,"BX517(PDK1 inhibitor2)","Urea, (2,3-dihydro-2-oxo-3-(1-(1H-pyrrol-2-yl)ethylidene)-1H-indol-5-yl)-","Urea, (2,3dihydr
o2oxo3(1(1Hpyrrol2yl)ethylidene)1Hindol5yl)","pdk-1 inhibitors","pdk1 inhibitors","PDK1 inhibitor2","Indolinone based inhibitor, 4i",5-Ureido-3-(1-(pyrrol-2-y,5Ureido3(1(pyrrol2y,T4046}

> <pdid>
PD063827

> <targets>
{PDK1,PDK-1}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{11161844}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    7.5987    1.1254    0.0000 H   0  3
    5.0987    1.1254    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8978   -0.7496    0.0000 C   0  0
   -5.1981   -1.4975    0.0000 C   0  0
   -6.4959   -0.7455    0.0000 C   0  0
   -6.4936    0.7545    0.0000 C   0  0
   -5.1933    1.5025    0.0000 C   0  0
   -3.8955    0.7504    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  3  4  2  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  6 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13551

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
LY-294002 hydrochloride

> <ctcr_id>
1436

> <supplier_cmpd_id>
T4079

> <smiles>
[H+].[Cl-].O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4

> <pd_targets>
{BLM,LMNA,GMNN,ALDH1A1,SMN1,PMP22,KDM4E,PIK3CD,PIK3CB,PRKDC,PIK3CA,MTOR,PIK3CG,PLK1,PIK3R1,PIK3R2,PIK3C2B,PIM3,CYP2D6,CYP1A2,PIM1,NFKB1,CYP2C19,CYP3A4,PLK3,PDE2A,TSHR,BRD3,PLK2,HIF1A,ALOX15,THPO,CYP2C
9,BRD4,BRD2,PIK3C2A,HSD17B10,CDK8,PDE3A,PDE3B,GSK3B,CSNK2A1,CSNK2A2,CSNK2B,HTR2B,PDE5A,HTR2A,CACNA1C,CACNB2,HTR2C}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Transcription factor","Ion channel",Oxidoreductase,Reader,Eraser,Transferas
e,Kinase,Protease,"Cytochrome P450",Phosphodiesterase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Methyl-lysine/arginine binding protein","Lysine demethylase","Protein Kinase","
Cysteine protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Phosphodiesterase 2","Peptide receptor (family A GPCR)",Bromodomain,"Phosphodiesterase 3","Small mo
lecule receptor (family A GPCR)","Phosphodiesterase 5","Voltage-gated calcium channel","Tudor domain","Jumonji domain-containing","Atypical protein kinase group","Other protein kinase group","CAMK pro
tein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Phosphodiesterase 2A","Glycohormone rece
ptor","CMGC protein kinase group","Phosphodiesterase 3A","Monoamine receptor","Phosphodiesterase 5A","Atypical protein kinase PIKK family","Other protein kinase PLK family","CAMK protein kinase PIM fa
mily","Cysteine protease C1A family","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","CMGC protein kinase CDK family","CMGC protein kinas
e GSK family","Other protein kinase CK2 family","Serotonin receptor","Atypical protein kinase FRAP subfamily","Other protein kinase PLK2","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Catalytic receptors","Glycerophospholipid turnover","Cytochrome P450","Cyclic nucleotide turnover/signalling","G protein-couple
d receptors","Eicosanoid turnover","1.14.11.- Histone demethylases","Lipid modifying kinases",Atypical,"Receptor kinases","Phosphatidylinositol kinases","CAMK: Calcium/calmodulin-dependent protein kin
ases","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Glycoprotein hormone receptors","Enzymatic bromodomain-containing protein
s",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinase
s (PIKK) family","Other protein kinases","Phosphatidylinositol-4-phosphate 3-kinase family","PIM family","Bromodomain kinase (BRDK) family","Cyclin-dependent kinase (CDK) family","Glycogen synthase ki
nase (GSK) family","Other PIKK family kinases","FRAP subfamily","Polo-like kinase (PLK) family","CDK8 subfamily","GSK subfamily"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle",Metabolism,"Metabolism of RNA","Developmental Biology","Immune System","Signal Transduction",Disease,"Gene expression (Transcription)",Hemostasis,"Cellular responses to exte
rnal stimuli","DNA Double-Strand Break Repair",Mitotic,"Biological oxidations","Metabolism of non-coding RNA","Nervous system development","Cytokine Signaling in Immune system","Signaling by Receptor 
Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Metabolism of lipids","Platelet homeostas
is","Infectious disease","Cellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Signaling by GPCR","Homology Directed Repair","M 
Phase","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","snRNP Assembly","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by Interleukins","
Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","FLT3 si
gnaling in disease","Biosynthesis of specialized proresolving mediators (SPMs)","Nitric oxide stimulates guanylate cyclase","Leishmania infection","Cellular response to hypoxia","Platelet Aggregation 
(Plug Formation)","SARS-CoV Infections","Branched-chain amino acid catabolism","Signaling by NOTCH1 in Cancer","GPCR ligand binding","HDR through Homologous Recombination (HRR) or Single Strand Anneal
ing (SSA)","Mitotic Metaphase and Anaphase","G1/S Transition","Ethanol oxidation",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","STING mediated induction of 
host immune responses","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Cytochrome P450 - arranged by substrate type","Signaling by FLT3 ITD and 
TKD mutants","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","cGMP effects","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible F
actor Alpha","Biosynthesis of DPA-derived SPMs","Potential therapeutics for SARS","Transcriptional regulation by RUNX3","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","SARS-CoV-1 Infection","C
lass A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Interleukin receptor SHC signaling","IRS-mediated sign
alling","IRF3-mediated induction of type I IFN","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome maturation",Xenobiotics,"STAT5 a
ctivation downstream of FLT3 ITD mutants","Interleukin-1 signaling","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","RUNX3
 regulates p14-ARF","Synthesis of PIPs at the early endosome membrane","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","SARS-CoV-1 Genome Replication and Transcription","Amine ligand-binding
 receptors","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation"
,"Loss of proteins required for interphase microtubule organization from the centrosome","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent 
MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","ADORA2B mediated anti-inflammatory cytokines production","CD163 mediating an anti-inflamm
atory response","Biosynthesis of DPAn-3-derived protectins and resolvins","Replication of the SARS-CoV-1 genome","Serotonin receptors","Presynaptic phase of homologous DNA pairing and strand exchange"
,"Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{AKT1,CHEK1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PLK1,PRKCA,PRKDC,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"DNA dependent protein kinase inhibitor","mTOR inhibitor","phosphodiesterase inhibitor","PI3K inhibitor","PLK inhibitor"}

> <synonyms>
{"LY-294,002 hydrochloride","LY294,002 hydrochloride",934389-88-5,934389885,"LY 294002 HYDROCHLORIDE","LY-294002 hydrochloride","LY294002 hydrochloride","LY294002 (hydrochloride)","2-(4-Morpholinyl)-8
-phenyl-4H-1-benzopyran-4-one hydrochloride","2(4Morpholinyl)8phenyl4H1benzopyran4one hydrochloride",2-morpholin-4-yl-8-phenylchromen-4-one;hydroch,2morpholin4yl8phenylchromen4one;hydroch,1130,"LY 294
002 hydrochloride"}

> <pdid>
PD007784

> <targets>
{PI3K}

> <classes>
{}

> <pubchem_cids>
{11957589}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.6946   -5.8864    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 N   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13552

> <plate>
PLATE 003

> <well>
C2

> <supplier_cmpd_name>
PHA767491 HCl

> <ctcr_id>
2552

> <supplier_cmpd_id>
T6940

> <smiles>
O=C1NCCc2[nH]c(cc12)c3ccncc3

> <pd_targets>
{ROCK1,MAPK12,PRKCQ,PRKD2,PKN2,GSK3B,CDK2,PLK1,SLK,PRKCD,RPS6KB1,HIPK4,ACVR1,CDK8,CDK1,CDC7,RPS6KA4,MAPKAPK2,MAPK13,MAPKAPK3,RPS6KA5,CDK9,CHEK2,PRKACA,MKNK2,PRKG1,CSNK2A1,GSK3A,CDK5,CDC42BPA,PLK4,PASK
,DAPK3,MINK1,DYRK3,DYRK4,ROCK2,JAK3,MARK2,MKNK1,CSNK1G2,BRSK1,RPS6KA3,PRKG2,CLK2,TAOK1,CSNK1D,NEK4,CSNK1G1,CLK4,MAPK1,PRKCZ,CSNK1G3,PLK3,SGK2,LRRK2,STK17A,PRKX,IRAK4,PIM3,PBK,MAP4K2,PRKD3,HIPK2,MAPKAP
K5,AKT1,DYRK1A,DYRK1B,IRAK1,CSNK1A1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CMGC protein kinase group","CAMK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","T
K protein kinase group","CK1 protein kinase group","AGC protein kinase DMPK family","CMGC protein kinase MAPK family","AGC protein kinase PKC family","CAMK protein kinase PKD family","AGC protein kina
se PKN family","CMGC protein kinase GSK family","CMGC protein kinase CDK family","Other protein kinase PLK family","STE protein kinase STE20 family","AGC protein kinase RSK family","CMGC protein kinas
e DYRK family","TKL protein kinase STKR family","Other protein kinase CDC7 family","CAMK protein kinase MAPKAPK family","CAMK protein kinase RAD53 family","AGC protein kinase PKA family","AGC protein 
kinase PKG family","Other protein kinase CK2 family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK family","Tyrosine protein kinase JakA family","CK1 protein kinase CK1 family","CMGC pr
otein kinase CLK family","Other protein kinase NEK family","AGC protein kinase SGK family","TKL protein kinase LRRK family","TKL protein kinase IRAK family","CAMK protein kinase PIM family","Other pro
tein kinase TOPK family","AGC protein kinase AKT family","AGC protein kinase ROCK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase CDC2 subf
amily","STE protein kinase SLK subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase HIPK subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK8 subfamily","AGC protein kinase MS
K subfamily","CAMK protein kinase MAPKAPK subfamily","CMGC protein kinase CDK9 subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase GEK subfamily","C
AMK protein kinase PASK subfamily","STE protein kinase MSN subfamily","CMGC protein kinase Dyrk2 subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinas
e RSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase ERK1","AGC protein kinase PKC iota subfamily","CK1 protein kinase CK1-g","STE protein kinase KHS subfamily","CMGC protein kinas
e Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kin
ases","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","DMPK family","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (
PKC) family","Protein kinase D (PKD) family","Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","Cyclin-dependent kinase (CDK) family","Other protein kinases","STE20 family","RSK 
family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CAMK-like (CAMKL) family","Protein 
kinase A (PKA) family","Protein kinase G (PKG) family","Death-associated kinase (DAPK) family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","CLK family","SGK family","PIM family","Akt (Protein
 kinase B","PKB) family","Rho kinase","p38 subfamily","Delta subfamily","GSK subfamily","CDK1 subfamily","Polo-like kinase (PLK) family","SLK subfamily","p70 subfamily","HIPK subfamily","Receptor seri
ne/threonine kinase (RSTK) family","CDK8 subfamily","CDC7 family","MSK subfamily","MAPKAPK subfamily","CDK9 subfamily","CHK1 subfamily","MKN subfamily","Casein kinase 2 (CK2) family","CDK5 subfamily",
"GEK subfamily","PASK subfamily","MSN subfamily","Dyrk2 subfamily","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","MARK subfamily","BRSK subfamily","RSK subfamily","TAO subfamily","NIMA (ne
ver in mitosis gene a)- related kinase (NEK) family","ERK subfamily","Iota subfamily","Leucine-rich repeat kinase (LRRK) family","Interleukin-1 receptor-associated kinase (IRAK) family","TOPK family",
"KHS subfamily","Type I receptor serine/threonine kinases","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Cell Cycle","Immune System",Hemostasis,"Programmed Cell Death","Cellular responses to external stim
uli","Transport of small molecules","Nervous system development","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Metabolism of lipids","Signaling by Rho GTPases","Infectious disease","RN
A Polymerase II Transcription",Mitotic,"Intracellular signaling by second messengers","MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immun
e System","Platelet homeostasis",Apoptosis,"Cellular responses to stress","Cytokine Signaling in Immune system","MAPK family signaling cascades","Signaling by Nuclear Receptors","Ion channel transport
","Signaling by Non-Receptor Tyrosine Kinases","Axon guidance","Signaling by NTRKs","GPCR downstream signalling","Sphingolipid metabolism","RHO GTPase Effectors","SARS-CoV Infections","Generic Transcr
iption Pathway","Mitotic G2-G2/M phases","DAG and IP3 signaling","mTORC1-mediated signalling","Signaling by NOTCH1 in Cancer","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition",
"Toll-like Receptor Cascades","HIV Infection","Nitric oxide stimulates guanylate cyclase","Caspase activation via extrinsic apoptotic signalling pathway","Cellular Senescence","Signaling by Interleuki
ns","Signaling by FGFR","MAPK1/MAPK3 signaling","M Phase","ESR-mediated signaling","Stimuli-sensing channels","Signaling by PTK6","Leishmania infection","Signaling by WNT in cancer","Semaphorin intera
ctions","Signaling by NTRK1 (TRKA)","G alpha (i) signalling events","Sphingolipid de novo biosynthesis","RHO GTPases activate PKNs","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","G2/M Tr
ansition","CaM pathway","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","APC/C-mediated degradation of cell cycle proteins","G1/S Transition","L1CAM interactions","Toll Like Receptor 5 (TLR5) C
ascade","HIV Life Cycle","cGMP effects","Caspase activation via Dependence Receptors in the absence of ligand","Oxidative Stress Induced Senescence","Interleukin-2 family signaling","Signaling by FGFR
4","RAF/MAP kinase cascade","Mitotic Metaphase and Anaphase","Extra-nuclear estrogen signaling","PTK6 promotes HIF1A stabilization","Leishmania parasite growth and survival","Toll Like Receptor 2 (TLR
2) Cascade","G0 and Early G1","Signaling by AMER1 mutants","Sema4D in semaphorin signaling","Signalling to ERKs","Visual phototransduction","SARS-CoV-1 Genome Replication and Transcription","Regulatio
n of TP53 Activity","Centrosome maturation","Calmodulin induced events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic p
roteins","Activation of the pre-replicative complex","Recycling pathway of L1","MyD88 cascade initiated on plasma membrane","Late Phase of HIV Life Cycle","Interleukin-15 signaling","Negative regulati
on of FGFR4 signaling","RAS processing","Mitotic Anaphase","Estrogen-stimulated signaling through PRKCZ","Anti-inflammatory response favouring Leishmania parasite infection","Toll Like Receptor TLR6:T
LR2 Cascade","Truncations of AMER1 destabilize the destruction complex","Sema4D induced cell migration and growth-cone collapse","Signalling to RAS","The phototransduction cascade","Replication of the
 SARS-CoV-1 genome","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degradation of mitotic
 proteins","MAP kinase activation","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","Spry regulation of FGF signaling","Separation of Sister Chromatids","ADORA2B
 mediated anti-inflammatory cytokines production","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","p38MAPK events",Inactivation,"recovery and regulation of the phototransduction cascade","Regu
lation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear even
ts mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","CREB phosphorylation","Tat-mediated elo
ngation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{CDK1,RPS6KB1}

> <broad_moa>
{"CDC inhibitor"}

> <synonyms>
{PHA-767491,PHA767491,845714-00-3,845714003,CAY10572,"PHA 767491","compound 8 (PMID: 17480064)","2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo(3,2-c)pyridin-4-one","2pyridin4yl1,5,6,7tetrahydropyrrolo(3,2c
)pyridin4one",PHA-767491A,PHA767491A,CAY10572(PHA-767491),CAY10572(PHA767491),"1,5,6,7-Tetrahydro-2-(4-pyridinyl)-4H-pyrrolo(3,2-c)pyridin-4-one","1,5,6,7Tetrahydro2(4pyridinyl)4Hpyrrolo(3,2c)pyridin4
one",2-(pyrid,2(pyrid,T6940,S2742,"EMD 217707","PHA767491 HCl",217707}

> <pdid>
PD010690

> <targets>
{CDK,"Cdc7/Cdk9 Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{11715767}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 27 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 V   0  3
    1.3170    2.2180    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2999    2.2084    0.0000 O   0  0
   -2.6000    1.4585    0.0000 C   0  0
   -2.6002   -0.0415    0.0000 O   0  0
   -3.8999    2.2087    0.0000 C   0  0
   -3.8973    3.7088    0.0000 N   0  0
   -5.1949    4.4611    0.0000 C   0  0
   -6.4953    3.7135    0.0000 C   0  0
   -6.4981    2.2135    0.0000 C   0  0
   -5.2004    1.4611    0.0000 C   0  0
   -5.2032   -0.0389    0.0000 O   0  0
   15.0987    0.3556    0.0000 O   0  0
   12.5987    0.3556    0.0000 O   0  0
   10.0987    0.3556    0.0000 O   0  0
    7.5987    0.3556    0.0000 O   0  0
    5.0987    0.3556    0.0000 H   0  5
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
M  CHG  2   4   1  27  -1
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13553

> <plate>
PLATE 003

> <well>
C3

> <supplier_cmpd_name>
VO-Ohpic trihydrate

> <ctcr_id>
13605

> <supplier_cmpd_id>
T7012

> <smiles>
O=C1O[V+](=O)(Oc2c1nccc2)OC(=O)c1ncccc1O.O.O.O.O.[H-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"VO-Ohpic trihydrate",T7012}

> <pdid>
PD071300

> <targets>
{PTEN}

> <classes>
{Others}

> <pubchem_cids>
{137247305}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    7.7795   -7.5156    0.0000 C   0  0
    7.7840   -6.0157    0.0000 O   0  0
    6.4870   -5.2605    0.0000 C   0  0
    5.1855   -6.0062    0.0000 O   0  0
    6.4915   -3.7597    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 N   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -4.2452   -7.0125    0.0000 C   0  0
   -5.6840   -7.4366    0.0000 O   0  0
   -3.1582   -8.0475    0.0000 O   0  0
   -3.5099   -9.5057    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 14 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 28 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 24 35  1  0
 35 21  1  0
 35 36  2  0
 36 12  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13554

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
WYE-354

> <ctcr_id>
434

> <supplier_cmpd_id>
T6731

> <smiles>
COC(=O)Nc1ccc(cc1)c2nc(N3CCOCC3)c4cnn(C5CCN(CC5)C(=O)OC)c4n2

> <pd_targets>
{MTOR,MAPKAP1,MLST8,RICTOR,RPTOR,PIK3CA,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfami
ly"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Gener
ic Transcription Pathway","Signaling by FGFR in disease","Phospholipid metabolism","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","PI Metabolism","Regulation of TP53 Activity","F
GFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradatio
n"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{WYE-354,WYE354,1062169-56-5,1062169565,"WYE 354","pyrazolo pyrimidine, 19",cc-506,cc506,MLS006011008,SCHEMBL300431,CHEMBL561708,GTPL9361,BDBM35587,CHEBI:94742,DTXSID00657912,C24H29N7O5,HMS3654N09,BCP
02898,ZINC43013490,CCG-264882,CCG264882,CS-0183,CS0183,SB19260,NCGC00242484-01,NCGC0024248401,NCGC0,T6731,S1266}

> <pdid>
PD011035

> <targets>
{mTOR,Apoptosis,Autophagy}

> <classes>
{PI3K/Akt/mTOR,Apoptosis,Autophagy}

> <pubchem_cids>
{44219749}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    7.3535    1.3069    0.0000 C   0  0
    5.8535    1.3037    0.0000 O   0  0
    5.1051    0.0028    0.0000 C   0  0
    4.6724   -1.3659    0.0000 C   0  0
    6.1220   -1.7517    0.0000 O   0  0
    6.5078   -0.3021    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    3.1882   -2.6401    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 N   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -6.4924   -3.7566    0.0000 N   0  0
   -3.8943   -3.7525    0.0000 N   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  3  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 13 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13555

> <plate>
PLATE 003

> <well>
C5

> <supplier_cmpd_name>
GNE-317

> <ctcr_id>
12220

> <supplier_cmpd_id>
T6845

> <smiles>
COC1(COC1)c1c(C)c2c(s1)c(nc(n2)c1cnc(N)nc1)N1CCOCC1

> <pd_targets>
{MTOR,PIK3CA}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfami
ly"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Signali
ng by FGFR in disease","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Regulation of TP53 Expression and Degradat
ion","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NE31,GNE-317,GNE317,1394076-92-6,1394076926,CHEMBL2178608,SCHEMBL19183441,"GNE 317","GNE317; GNE 317",BCP23939,EX-A1558,EXA1558,BDBM50398399,s7798,ZINC72316319,CCG-268819,CCG268819,CS-3961,CS3961,NCG
C00481572-02,NCGC0048157202,BS-15486,BS15486,HY-12763,HY12763,B4991,A13992,T6845}

> <pdid>
PD012812

> <targets>
{PI3K,PI3K/mTOR,mTOR}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{70676303}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.4999    0.0000 C   0  0
   -7.7943    2.9999    0.0000 C   0  0
   -9.0933    3.7499    0.0000 O   0  0
   -9.0933    5.2499    0.0000 C   0  0
  -10.3743    4.4695    0.0000 C   0  0
   -9.0581    6.7495    0.0000 C   0  0
   -7.7943    5.9999    0.0000 C   0  0
   -6.4952    5.2500    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  2  3
 20 21  1  0
 21 10  1  0
 21 14  2  0
 11 22  1  0
 22 23  2  0
 24 22  1  6
 24  8  1  0
 24 25  1  0
 25  5  2  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13556

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
Deguelin

> <ctcr_id>
3741

> <supplier_cmpd_id>
T6817

> <smiles>
COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@H]3c2cc1OC

> <pd_targets>
{CYP2C19,TSHR,CYP2D6,HSP90AA1,MAPT,TP53,CYP3A4,RORC,FFP,LEF,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Transcription factor","Cytochrome P450","Family A G protein-coupled receptor",Protease,"Nuclear receptor",Transferase,"Cytochrome P450 family 2",
"Peptide receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 2C","Glyc
ohormone receptor","Cytochrome P450 family 2D","Cysteine protease CA clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 famil
y 1A","Cytochrome P450 2C19","Cytochrome P450 2D6","Cysteine protease C1A family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrom
e P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","G protein-coupled receptors","Heat shock proteins","Nuclear hormone receptors","CYP2 family: drug metabolising subset","Glycoprotein hormo
ne receptors","CYP3 family","1F. Retinoic acid-related orphans","CYP1 family"}

> <pathway_reactome>
{Metabolism,Disease,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Biological oxidations","Infectious disease",Mitotic,"Transmission across Chemical Synapses","Cell Cycle Checkpoint
s","Metabolism of lipids","RNA Polymerase II Transcription","Phase I - Functionalization of compounds","Leishmania infection","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic sign
al transmission","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Cytochrome P450 - a
rranged by substrate type","Leishmania parasite growth and survival","G2/M Transition","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis o
f DHA-derived SPMs","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturatio
n","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","CYP2E1 reactions","ADORA2B mediated an
ti-inflammatory cytokines production","Loss of proteins required for interphase microtubule organization from the centrosome","Activation of AMPK downstream of NMDARs","Stabilization of p53","Biosynth
esis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Loss of Nlp from mitotic centrosomes","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Deguelin,522-17-8,522178,(-)-Deguelin,()Deguelin,(-)-cis-deguelin,()cisdeguelin,DEGUELIN(-),DEGUELIN(),UNII-K5Z93K66IE,UNIIK5Z93K66IE,CHEBI:4357,K5Z93K66IE,MFCD01740600,C23H22O6,SR-01000597503,SR0100
0597503,"CCRIS 8104",Deguelin/,"(-)-Deguelin, Mundulea sericea","()Deguelin, Mundulea sericea",Spectrum_001044,Spectrum001044,Spectrum-001044,"Spectrum 001044",Tocris-1770,Tocris1770,Spectrum2_000298,
Spectrum2000298,Spectrum2-000298,"Spectrum2 000298",Spectru,T6817,201138,DEGUELIN}

> <pdid>
PD002195

> <targets>
{Akt,PI3K,AKT,Apoptosis,Autophagy}

> <classes>
{antineoplastic,antiviral,insecticide,Apoptosis,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{107935}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 29 29  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4988    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 N   0  0
    2.7342    2.9815    0.0000 N   0  0
    6.4436    1.8467    0.0000 N   0  0
    7.3221    3.0636    0.0000 C   0  0
    8.8147    2.9144    0.0000 N   0  0
    9.6902    4.1324    0.0000 C   0  0
    9.0732    5.4996    0.0000 C   0  0
    7.5806    5.6488    0.0000 N   0  0
    6.7051    4.4309    0.0000 C   0  0
    9.9492    6.7183    0.0000 C   0  0
   10.8247    7.9362    0.0000 N   0  0
   15.8252    2.4665    0.0000 Cl  0  0
   13.3252    2.4665    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  3  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  4 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 14  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 20  1  0
 23 26  1  0
 26 27  3  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13557

> <plate>
PLATE 003

> <well>
C7

> <supplier_cmpd_name>
Prexasertib dihydrochloride

> <ctcr_id>
11941

> <supplier_cmpd_id>
T4327

> <smiles>
COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N.Cl.Cl

> <pd_targets>
{BLK,CHEK2,PRKAA1,PRKAB1,PRKAG1,CHEK1,RPS6KA1,RPS6KB1,FLT3,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TK protein kinase group","CAMK protein kinase group","AGC protein kinase group","Voltage-gated potassium
 channel","Tyrosine protein kinase Src family","CAMK protein kinase RAD53 family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK family","Tyrosine protein kinase PDGFR family","CAMK protei
n kinase AMPK subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA
",PKG,"PKC families","Potassium channels","TK: Tyrosine kinase","CAMK-like (CAMKL) family","RSK family","Voltage-gated potassium channels","Non-receptor tyrosine kinases (nRTKs)","CHK1 subfamily","RSK
 subfamily","p70 subfamily","Receptor tyrosine kinases (RTKs)","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","Immune System","Signal Transduction","Muscle contraction","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Innate Immune System","MT
OR signalling","Signaling by Receptor Tyrosine Kinases","Cardiac conduction","Generic Transcription Pathway","Homology Directed Repair","Toll-like Receptor Cascades","mTORC1-mediated signalling","Sign
aling by Insulin receptor","Phase 3 - rapid repolarisation","Transcriptional regulation by RUNX1","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Anne
aling (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Insulin receptor signalling cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of TP53 Activity","HDR through H
omologous Recombination (HRR)","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","MAP 
kinase activation","PI3K Cascade","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosph
orylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Prexasertib dihydrochloride",1234015-54-3,1234015543,"1234015 54 3","LY2606368 dihydrochloride","Prexasertib HCl",UNII-9RFT476U2L,UNII9RFT476U2L,"UNII 9RFT476U2L","Prexasertib (dihydrochloride)",9RF
T476U2L,"1234015-54-3 (2HCl)","1234015543 (2HCl)","1234015 54 3 (2HCl)","Prexasertib (LY2606368)","LY2606368 (dihydrochloride)",T4327}

> <pdid>
PD057524

> <targets>
{Chk1,Chk2,RSK}

> <classes>
{"Cell Cycle/Checkpoint","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{46700755}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 69 72  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1455    9.0106    0.0000 O   0  0
    7.5532    8.4901    0.0000 P   0  0
    7.8057    7.0115    0.0000 C   0  0
    8.9599    7.9692    0.0000 C   0  0
    8.7078    9.4476    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  3
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  3
 39 40  1  0
 40 41  2  3
 41 42  1  0
 42 43  2  3
 43 44  1  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 52 54  1  0
 54 47  1  0
 52 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  2  0
 57 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 59  1  0
 64 65  1  0
 65 66  2  0
 65 67  1  0
 67 17  1  0
 45 68  1  0
 68 69  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13558

> <plate>
PLATE 003

> <well>
C8

> <supplier_cmpd_name>
Ridaforolimus

> <ctcr_id>
3035

> <supplier_cmpd_id>
T6334

> <smiles>
COC1CC(CCC1O[P](C)(C)=O)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{MTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{EFOROLIMUS(MK8669,Ridaforolimus,572924-54-0,572924540,FT-0674424,FT0674424,S1022,Deforolimus(MK-8669),"Ridaforolimus (Deforolimus, MK-8669)"}

> <pdid>
PD012223

> <targets>
{mTOR,Autophagy}

> <classes>
{PI3K/Akt/mTOR,Autophagy}

> <pubchem_cids>
{71433797}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 70 74  0  0  1  0            999 V2000
   -1.6953    3.5893    0.0000 H   0  0
   -3.1200    3.1200    0.0000 C   0  0  2  0  0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -8.0800    0.4300    0.0000 C   0  0  2  0  0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -7.8600   -2.2400    0.0000 C   0  0  1  0  0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0  1  0  0  0
  -10.7377    1.1027    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0  2  0  0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0  1  0  0  0
    2.3025   -7.3134    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    6.2500   -5.8600    0.0000 C   0  0  1  0  0  0
    7.5042   -6.6827    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0  2  0  0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0  2  0  0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    3.4300    0.8000    0.0000 C   0  0  1  0  0  0
    3.8662    2.2352    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    0.8000    1.1200    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0  2  0  0  0
   -0.7100    3.2100    0.0000 O   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
    1.7916    3.6903    0.0000 C   0  0  2  0  0  0
    1.5342    5.1681    0.0000 C   0  0
    3.2010    3.1746    0.0000 C   0  0
    4.3530    4.1366    0.0000 C   0  0  2  0  0  0
    5.7625    3.6231    0.0000 C   0  0
    6.9118    4.5869    0.0000 C   0  0
    6.6519    6.0642    0.0000 C   0  0  1  0  0  0
    5.2425    6.5777    0.0000 C   0  0  1  0  0  0
    4.0931    5.6139    0.0000 C   0  0
    4.9854    8.0564    0.0000 O   0  0
    6.1362    9.0186    0.0000 C   0  0
    7.8018    7.0285    0.0000 N   0  0
    7.6833    8.5111    0.0000 C   0  0
    9.0751    9.0703    0.0000 N   0  0
   10.0371    7.9194    0.0000 N   0  0
    9.2398    6.6489    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  1
 12 14  1  0
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  1  1
 15 20  1  0
 20 21  1  0
 21 22  1  6
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  6
 39 40  1  0
 38 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  1  0
 43 45  2  0
 45 46  1  0
 46 47  1  6
 46 48  1  0
 48 49  2  0
 48 50  1  0
 51 50  1  6
 51 52  1  0
 52 53  1  0
 53  2  1  0
 53 54  2  0
 51 55  1  0
 55 56  1  6
 55 57  1  0
 58 57  1  1
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 58  1  0
 62 64  1  1
 64 65  1  0
 61 66  1  1
 66 67  1  0
 67 68  2  3
 68 69  1  0
 69 70  2  3
 70 66  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13559

> <plate>
PLATE 003

> <well>
C9

> <supplier_cmpd_name>
Zotarolimus

> <ctcr_id>
11288

> <supplier_cmpd_id>
T6033

> <smiles>
[H][C@@]12CCCCN1C(=O)C(=O)[C@]1(O)O[C@@H](CC[C@H]1C)C[C@H](OC)\C(C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(C)=C\[C@@H](C)C(=O)C[C@H](OC2=O)[C@H](C)C[C@@H]1CC[C@@H]([C@@H](C1)OC)N1C=NN=N
1

> <pd_targets>
{MTOR,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Kinase,Isomerase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Peptidyl-prolyl cis/trans isomerases",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Signali
ng by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 
Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{FKBP1A}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Zotarolimus,221877-54-9,221877549,ABT-578,ABT578,UNII-H4GXR80IZE,UNIIH4GXR80IZE,H4GXR80IZE,CHEMBL219410,"ABT 578",zotarilumus,Zatarolimus,"Zotarolimus (USAN:INN)","Zotarolimus (ABT-578)","Zotarolimus
 (ABT578)","Zotarolimus;  ABT-578","Zotarolimus;  ABT578",SCHEMBL67389,cc-709,cc709,"A 179578",GTPL7974,DTXSID50873387,CH,T6033}

> <pdid>
PD021569

> <targets>
{mTOR,FKBP-12,Others}

> <classes>
{PI3K/Akt/mTOR signaling,Others}

> <pubchem_cids>
{9876378}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    4.6581   -2.9476    0.0000 C   0  0
    3.1905   -2.6376    0.0000 C   0  0
    2.1885   -3.7539    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.2737    3.8235    0.0000 C   0  0
    2.8432    5.2111    0.0000 C   0  0
    4.3298    5.4118    0.0000 C   0  0
    5.2468    4.2247    0.0000 C   0  0
    4.6773    2.8370    0.0000 C   0  0
    4.9024    6.7990    0.0000 N   0  0
    6.3901    6.9977    0.0000 C   0  0
    7.3050    5.8090    0.0000 O   0  0
    6.9627    8.3849    0.0000 N   0  0
    8.4504    8.5835    0.0000 C   0  0
    9.0248    9.9692    0.0000 C   0  0
   10.5120   10.1647    0.0000 C   0  0
   11.4249    8.9745    0.0000 C   0  0
   10.8506    7.5888    0.0000 C   0  0
    9.3634    7.3933    0.0000 C   0  0
   11.7640    6.3979    0.0000 C   0  0
   13.2513    6.5925    0.0000 F   0  0
   11.1892    5.0124    0.0000 F   0  0
   12.6763    5.2073    0.0000 F   0  0
    8.1119   11.1595    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  4  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 19  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 20 29  1  0
  6 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33  5  1  0
 30 34  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13560

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
AD80

> <ctcr_id>
12355

> <supplier_cmpd_id>
T4301

> <smiles>
CC(C)N1C2=C(C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)C(=NC=N2)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AD80,1384071-99-1,1384071991,AD-80,SCHEMBL14985438,BCP25106,EX-A1372,EXA1372,s8518,ZB1526,ZINC205928292,CCG-269478,CCG269478,CS-6926,CS6926,BS-15325,BS15325,HY-101963,HY101963,AK00783056,T4301}

> <pdid>
PD078303

> <targets>
{c-RET,Src,"S6 Kinase",RET,RAF,SRC,S6K}

> <classes>
{"Tyrosine Kinase/Adaptors",MAPK,Angiogenesis,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{71578106}

$$$$
TargetMol_L1300_PI3K AKT and mTOR compound library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.0059   -1.5004    0.0000 C   0  0
    1.2903   -0.7456    0.0000 N   0  0
    2.4080   -1.7447    0.0000 C   0  0
    3.8992   -1.5823    0.0000 C   0  0
    4.7854   -2.7925    0.0000 C   0  0
    4.1805   -4.1651    0.0000 C   0  0
    2.6893   -4.3275    0.0000 C   0  0
    1.8030   -3.1173    0.0000 C   0  0
   -1.3792   -0.8952    0.0000 C   0  0
   -1.5574    0.5823    0.0000 C   0  0
   -0.4658    1.6111    0.0000 O   0  0
   -3.0334    0.8495    0.0000 N   0  0
   -3.7430   -0.4711    0.0000 C   0  0
   -5.2001   -0.8273    0.0000 C   0  0
   -5.6202   -2.2673    0.0000 C   0  0
   -4.5831   -3.3511    0.0000 C   0  0
   -3.1261   -2.9949    0.0000 C   0  0
   -2.7060   -1.5549    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11  6  1  0
  4 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1300_PI3K AKT and mTOR compound library

> <id>
13561

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
Indirubin-3'-monoxime

> <ctcr_id>
7713

> <supplier_cmpd_id>
T5200

> <smiles>
O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34

> <pd_targets>
{IGF1R,GSK3B,STK17B,CDK5,CDK1,CDK2,AHR,RAC1,CDC42,RAB2A,RAB7A}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,Hydrolase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","CAMK protein kinase group","Tyrosine protein kinase InsR family","CMGC protein k
inase GSK family","CAMK protein kinase DAPK family","CMGC protein kinase CDK family","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Aryl hydrocarbon receptor","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/ca
lmodulin-dependent protein kinases","TK: Tyrosine kinase","Glycogen synthase kinase (GSK) family","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kina
ses (RTKs)","GSK subfamily","CDK5 subfamily","CDK1 subfamily","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Cell Cycle",Metabolism,"Developmental Biology","Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transc
ription",Mitotic,"Biological oxidations","Nervous system development","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","SARS-CoV Infections","Generic Transcription Pathway","Regulat
ion of mitotic cell cycle","Phase I - Functionalization of compounds","Axon guidance","Leishmania infection","M Phase","Infection with Mycobacterium tuberculosis","IGF1R signaling cascade","SARS-CoV-1
 Infection","Transcriptional Regulation by TP53","APC/C-mediated degradation of cell cycle proteins","Cytochrome P450 - arranged by substrate type","Semaphorin interactions","Parasite infection","Mito
tic Prophase","Response of Mtb to phagocytosis","IRS-related events triggered by IGF1R","SARS-CoV-1 Genome Replication and Transcription","Regulation of TP53 Activity","Activation of APC/C and APC/C:C
dc20 mediated degradation of mitotic proteins","Endogenous sterols","Sema4D in semaphorin signaling","Leishmania phagocytosis","Golgi Cisternae Pericentriolar Stack Reorganization","Suppression of pha
gosomal maturation","Replication of the SARS-CoV-1 genome","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression a
nd Degradation","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Prevention of phagosomal-lysosomal fusion","APC:Cdc20 mediated degradation of cell cycle p
roteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{CDK1,CDK2,CDK5,CDK5R1,GSK3B}

> <broad_moa>
{"CDK inhibitor","glycogen synthase kinase inhibitor"}

> <synonyms>
{NDIRUBIN3'MONOXIM,INDIRUBIN-3'-MONOXIME,INDIRUBIN3'MONOXIME,indirubin-3'-oxime,indirubin3'oxime,160807-49-8,160807498,Indirubin-3-monoxime,Indirubin3monoxime,indirubin-3-oxime,indirubin3oxime,Indirub
in-3monoxime,3-(3-(Hydroxyamino)-1H-indol-2-yl)indol-2-one,3(3(Hydroxyamino)1Hindol2yl)indol2one,CHEBI:43645,"Indirubin 3'-monoxime","Indirubin 3'monoxime",indirubin-3'-monooxime,indirubin3'monooxime,
(Z)-1H,(Z)1H,1'H-(2,1'H(2,3,"EMD 402085",CC-207,402085,Indirubin-3'-monooxime}

> <pdid>
PD002811

> <targets>
{GSK-3beta}

> <classes>
{}

> <pubchem_cids>
{3707}

$$$$
