TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
   -4.9530   -7.0195    0.0000 C   0  0
   -4.2043   -5.7197    0.0000 N   0  0
   -2.7035   -5.7172    0.0000 C   0  0
   -1.9530   -4.4184    0.0000 C   0  0
   -0.4530   -4.4190    0.0000 C   0  0
    0.2966   -5.7184    0.0000 C   0  0
   -0.4540   -7.0171    0.0000 C   0  0
   -1.9540   -7.0165    0.0000 C   0  0
    1.7974   -5.7210    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7928   -8.3210    0.0000 C   0  0
    2.5382   -9.6227    0.0000 C   0  0
    1.7837  -10.9191    0.0000 C   0  0
    0.2837  -10.9139    0.0000 C   0  0
   -0.4618   -9.6123    0.0000 C   0  0
    0.2927   -8.3159    0.0000 C   0  0
   -1.9625   -9.6071    0.0000 C   0  0
   -2.7192  -10.9023    0.0000 C   0  0
   -4.2192  -10.8947    0.0000 C   0  0
   -4.9626   -9.5919    0.0000 N   0  0
   -4.2060   -8.2967    0.0000 C   0  0
   -2.7060   -8.3042    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   0  0
    4.0497   -4.4250    0.0000 O   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
    0.3114   -2.9665    0.0000 S   0  0
    3.8805   -1.4410    0.0000 Cl  0  0
    6.5504   -4.7096    0.0000 Cl  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
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 11  1  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
  9 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 31  1  0
 31 32  2  3
 32 27  1  0
 32 33  1  0
 33 25  1  0
 26 34  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21909

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
SAG hydrochloride (912545-86-9(free base))

> <ctcr_id>
11671

> <supplier_cmpd_id>
T4211

> <smiles>
CNC1CCC(CC1)N(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.Cl

> <pd_targets>
{SMO,FZD6,TRPC2,TRPC6,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Unclassified protein","Frizzled family G protein-coupled receptor","Voltage-gated ion channel","Smoothened receptor (frizzled family GPCR)","Transient receptor pote
ntial channel"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Class Frizzled GPCRs","Transient Receptor Potential channels"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Developmental Biology","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system development
","Cargo trafficking to the periciliary membrane","Signaling by WNT in cancer","Axon guidance","Hh mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","Signaling by RNF43 mu
tants","Netrin-1 signaling","HHAT G278V doesn't palmitoylate Hh-Np","Role of second messengers in netrin-1 signaling"}

> <broad_targets>
{SMO,TRPC6}

> <broad_moa>
{"smoothened receptor agonist"}

> <synonyms>
{"SAG hydrochloride","SAG HCl","SAG (hydrochloride)",2095432-58-7,2095432587,"Smoothened Agonist (SAG) HCl","2095432-58-7 (HCl)","2095432587 (HCl)",EX-A3560,EXA3560,HY-12848B,HY12848B,s7779,CCG-269891
,CCG269891,AK685800,BS-15822,BS15822,CS-0077064,CS0077064,T4211,"SAG hydrochloride (912545-86-9(free base))"}

> <pdid>
PD019266

> <targets>
{Hedgehog/Smoothened}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{121540649}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 41 46  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    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 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
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -5.1904    1.5090    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -6.4971   -0.7365    0.0000 C   0  0
   -7.7988   -1.4820    0.0000 C   0  0
   -7.8039   -2.9820    0.0000 C   0  0
   -6.5075   -3.7364    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   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
    3.8971    0.7500    0.0000 O   0  0
   -1.2982    3.7531    0.0000 C   0  0
   -2.5986    3.0053    0.0000 O   0  0
   -1.2961    5.2539    0.0000 N   0  0
   -2.5943    6.0070    0.0000 C   0  0
   -2.5922    7.5078    0.0000 C   0  0
   -3.8886    8.2624    0.0000 C   0  0
   -3.8834    9.7624    0.0000 C   0  0
   -2.5818   10.5079    0.0000 C   0  0
   -1.2854    9.7534    0.0000 C   0  0
   -1.2905    8.2534    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    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  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 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
 11 23  1  0
 23  7  1  0
 23 24  2  0
  9 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28  8  1  0
 28 29  2  0
 25 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  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
  5 40  1  0
 40 41  2  0
 41  2  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21910

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
ICG001

> <ctcr_id>
7846

> <supplier_cmpd_id>
T2237

> <smiles>
Oc1ccc(CC2N3C(CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1

> <pd_targets>
{CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{"Other protein targets","Bromodomain-containing proteins","Non-enzymatic BRD containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","TP53 Regulates Transcription of Cell Death Genes","TP53 Regul
ates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
{CTNNB1}

> <broad_moa>
{"beta-catenin inhibitor"}

> <synonyms>
{CGC003893730,NCGC00389373-02,NCGC0038937302,"PRI 724",CHEMBL2137823,SCHEMBL13744871,BDBM275766,HMS3740K21,BCP02465,AKOS026750389,"US10071086, Compound ICG-001","US10071086, Compound ICG001",FT-067026
7,FT0670267,FT-0774377,FT0774377,"PRI724; PRI 724; ICG001 isomer; ICG-001 isomer; ICG 001 isomer","PRI724; PRI 724; ICG001 isomer; ICG001 isomer; ICG 001 isomer",T2237,S2662,ICG001,ICG-001}

> <pdid>
PD003345

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{20741453}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 31 35  0  0  1  0            999 V2000
    1.9438   -6.2113    0.0000 C   0  0
    0.7315   -5.3280    0.0000 C   0  0
   -0.6572   -5.8951    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    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 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   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
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.3667   -4.3062    0.0000 O   0  0
   -1.1988   -2.7813    0.0000 C   0  0
   -1.7813   -1.3990    0.0000 O   0  0
   -2.1056   -3.9772    0.0000 C   0  0
   -3.5939   -3.7910    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  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  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  0
 17 19  1  0
 19  8  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24  7  1  0
 24 25  1  0
 24 26  1  0
 26  5  1  0
 26 27  1  0
 27  2  1  0
 26 28  1  6
 28 29  2  0
 28 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21911

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Halcinonide

> <ctcr_id>
1152

> <supplier_cmpd_id>
T0107

> <smiles>
CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@@]2(O1)C(=O)CCl

> <pd_targets>
{AR,PGR,AMPC,NR3C1,SMO}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor","Nuclear receptor",Hydrolase,"Frizzled family G protein-coupled receptor","Nuclear hormone receptor subfamily 3","Smoothened receptor (frizzled famil
y GPCR)","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfam
ily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","Steroid hormone receptors","Class Frizzled GPCRs","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Organelle biogenesis and maintenance","RNA Polymerase II Transcription","Cilium Assembly","Generic Transcription Pathway","Cargo trafficking to the periciliary memb
rane","Transcriptional regulation by RUNX2","FOXO-mediated transcription","BBSome-mediated cargo-targeting to cilium","RUNX2 regulates bone development","FOXO-mediated transcription of oxidative stres
s","metabolic and neuronal genes","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{SR-05000001841,SR05000001841,Spectrum_001579,Spectrum001579,Spectrum-001579,"Spectrum 001579",Spectrum2_001540,Spectrum2001540,Spectrum2-001540,"Spectrum2 001540",Spectrum3_001577,Spectrum3001577,Spe
ctrum3-001577,"Spectrum3 001577",Spectrum4_000180,Spectrum4000180,Spectrum4-000180,"Spectrum4 000180",Spectrum5_001257,Spectrum5001257,Spectrum5-001257,"Spectrum5 001257",BSPBio_003114,BSPBio003114,BS
PBio-003114,"BSPBio 003114",KBioGR_000699,KBioGR000699,KBioGR-000699,"KBioGR 000699",KBioSS_002059,KBioSS002059,KBioSS-002059,"KBioSS 002059",DivK1c_000637,DivK1c000637,DivK1c-000637,"DivK1c 000637",S
PECTRUM1503237,SPBio_001360,SPBio001360,SPBio-001360,"SPBio 001360",CHEMBL3039407,SCHEMBL10019829,HMS501P19,KBio1_000637,KBio1000637,KBio1-000637,"KBio1 000637",KBio2_,KBio2,KBio2-,T0107,1503237,Halci
nonide,HALCINONIDE}

> <pdid>
PD001032

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{5702233}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21912

> <plate>
PLATE 001

> <well>
A5

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 20 21  0  0  0  0            999 V2000
    5.9606   -1.2012    0.0000 Cl  0  5
    3.4598    0.0000    0.0000 C   0  0
    1.9598    0.0000    0.0000 N   0  3
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 O   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -3.4606    0.0000    0.0000 C   0  0
   -4.0948    1.3670    0.0000 C   0  0
   -5.5886    1.5028    0.0000 C   0  0
   -6.4532    0.2771    0.0000 C   0  0
   -5.8240   -1.0845    0.0000 C   0  0
   -4.3302   -1.2204    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
   -0.9951   -4.3623    0.0000 C   0  0
    0.1949   -3.4492    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  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 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 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  3  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21913

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Nefopam hydrochloride

> <ctcr_id>
1849

> <supplier_cmpd_id>
T0470

> <smiles>
[Cl-].C[NH+]1CCOC(c2ccccc2)c3ccccc3C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Nefopam hydrochloride",23327-57-3,23327573,"Nefopam HCl","Fenazoxine hydrochloride",Acupan,"Nefopam (hydrochloride)","5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride","5Methy
l1phenyl3,4,5,6tetrahydro1H2,5benzoxazocine hydrochloride","Nefopam hydrochloride (USAN)","23327-57-3 (HCl)","23327573 (HCl)",S4180,Prestw-229}

> <pdid>

> <targets>
{²-catenin}

> <classes>
{Stem Cell/Wnt}

> <pubchem_cids>
{155290,57516081,31872}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 13 13  0  0  0  0            999 V2000
    3.8926   -3.7566    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
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    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
  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  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  5  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21914

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Methyl Vanillate

> <ctcr_id>
11672

> <supplier_cmpd_id>
T2818

> <smiles>
COC(=O)c1cc(OC)c(O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Methyl vanillate","Methyl 4-hydroxy-3-methoxybenzoate","Methyl 4hydroxy3methoxybenzoate",3943-74-6,3943746,"Methyl 3-methoxy-4-hydroxybenzoate","Methyl 3methoxy4hydroxybenzoate","Vanillic acid, meth
yl ester","4-Hydroxy-3-methoxybenzoic acid methyl ester","4Hydroxy3methoxybenzoic acid methyl ester","BENZOIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER","BENZOIC ACID, 4HYDROXY3METHOXY, METHYL ESTER",M
ethy,T2818,"Methyl Vanillate"}

> <pdid>
PD004190

> <targets>
{Wnt}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{19844}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    5.1937   -3.0093    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 S   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
   -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
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    1.2827   -8.2489    0.0000 C   0  0
    2.5895   -6.0034    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 12  1  0
 12 13  2  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
 15  6  1  0
  2 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
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21915

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Tolnaftate

> <ctcr_id>
1680

> <supplier_cmpd_id>
T1094

> <smiles>
CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3

> <pd_targets>
{CYP2C9,MAPT,CYP2C19,CYP3A4,LMNA,TDP1,LEF,CYP1A2,HTR2B,CYP51A1,ERG1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Cytochrome P450",Hydrolase,Protease,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 fam
ily 3","Metallo protease","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 51","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Metallo protease MAE
 clan","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 51A","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 3A4","Metallo protease M34 family","Cytochrome P450 1
A1","Serotonin receptor","Cytochrome P450 51A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family","5-Hydroxytryptamine receptors",CYP39,"CYP46 and CYP51 families"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Cell Cycle","DNA Repair",Disease,"Signal Transduction","Biological oxidations","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"DNA Double-Strand 
Break Repair","Infectious disease","Signaling by GPCR","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proreso
lving mediators (SPMs)","M Phase","Nonhomologous End-Joining (NHEJ)","Uptake and actions of bacterial toxins","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Activation of NMDA r
eceptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Post N
MDA receptor activation events","Biosynthesis of maresins","Mitotic Anaphase","Amine ligand-binding receptors","Endogenous sterols","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Biosyn
thesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{tolnaftate,2398-96-1,2398961,Tinactin,Tolnaphthate,Tonoftal,Sporiline,Tinaderm,Tolsanil,Aftate,Chinofungin,Dermoxin,Focusan,Tinavet,Pitrex,"Naphthiomate T",Phytoderm,Timoped,Tritin,HI-Alazin,HIAlazin
,Fungistop,Tolnaftato,Tolnaftatum,Sorgoa,Dungistop,Tniaderm,Se,T1094,1500583,Prestw-70,Tolnaftate,TOLNAFTATE}

> <pdid>
PD001724

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{5510}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 15 16  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 S   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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1017   -6.1219    0.0000 S   0  0
    4.6332   -7.5468    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.6747   -6.1134    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  2  0
  9  4  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21916

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Urea

> <ctcr_id>
4608

> <supplier_cmpd_id>
T0738

> <smiles>
S=C(Nc1ccccc1)Nc2sccn2

> <pd_targets>
{KMT2A,ALDH1A1,ALD,CYP2D6,CYP3A4,CYP1A2,TGR,BLM,THPO,RAB9A,MEN1,NPC1,HTT,CYP2C19,PKM,LMNA,MAPK1,NFKB1,SMN1,NPSR1,CYP2C9,LEF,GAA,PYK,PMP22,FFP,HSD17B10,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein",Transporter,"Other nuclear protein","Other cytosolic protein","Membrane receptor",Reader,Oxidoreductase,"Cytochrome P450",Hydrolase,Kinase,"Family
 A G protein-coupled receptor",Protease,Transferase,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Protein Kinase","Methyl-lysine/arginine binding protei
n","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2C","CMGC protein kinase group","Tu
dor domain","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Atypical protein kinase group","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C19
","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 2C9","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinas
e FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","Cytochrome P450","SLC superfamily of solute carriers","2.7.1.40 Pyruvate kinases","Kinases (EC 2.7.x.x)","G protein-coupled receptors","3
.2.1.- Glycosidases","2.1.1.43 Histone methyltransferases (HMTs)","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family","SLC65 NPC-type cholesterol transporters","CMGC: Containing CDK",M
APK,GSK3,"CLK families","Neuropeptide S receptor",Atypical,"Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfa
mily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"DNA Repair",Hemostasis,"Signal Transduction","Transport of small molecules","Cell Cycle","Immune System","Metabolism of RNA",Disease,"Developmental Biolo
gy","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Signaling by Rho GTPases","Plas
ma lipoprotein assembly",remodeling,"and clearance","Metabolism of carbohydrates",Mitotic,"Innate Immune System","Cytokine Signaling in Immune system","Metabolism of non-coding RNA","Infectious diseas
e","Diseases of metabolism","Nervous system development","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Phase I - Functionalization of compounds","Biosynthesis of special
ized proresolving mediators (SPMs)","Homology Directed Repair","Platelet Aggregation (Plug Formation)","Rho GTPase cycle","Plasma lipoprotein clearance","Glucose metabolism","M Phase","Toll-like Recep
tor Cascades","Signaling by Interleukins","snRNP Assembly","Leishmania infection","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Branched-chain amino acid catabolism","Transcriptional regulation by RUNX1","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived S
PMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RHOBTB GTPase Cycle","LDL clearance","Transcriptional Regulation by MECP2",Glycolysis,"Mitotic Metaphase and Anaphas
e","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Glycogen storage diseases","Transcriptional
 Regulation by TP53","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function",Xenobiotics,"Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","RHOBTB
3 ATPase cycle","Regulation of MECP2 expression and activity","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania
 parasite infection","Glycogen storage disease type II (GAA)","Regulation of TP53 Activity","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylat
ed by CYP1A2","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP kinase activation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory c
ytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ 
Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1-phenyl-3-(2-thiazolyl)-2-thiourea,1phenyl3(2thiazolyl)2thiourea,14901-16-7,14901167,"Thiourea, N-phenyl-N'-2-thiazolyl-","Thiourea, NphenylN'2thiazolyl",1-Phenyl-3-(thiazol-2-yl)thiourea,1Phenyl3(t
hiazol2yl)thiourea,PHENYLTHIAZOLYLTHIOUREA,1-Phenyl-3-(2-thiazolyl)thiourea,1Phenyl3(2thiazolyl)thiourea,"1-phenyl-3-(1,3-thiazol-2-yl)thiourea","1phenyl3(1,3thiazol2yl)thiourea",Urea,1-phenyl-3-(2-th
iazo,1phenyl3(2thiazo,NSC139257,"NSC 139257","U 14624"}

> <pdid>
PD015136

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{719408}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 19 22  0  0  0  0            999 V2000
    2.5981    0.0000    0.0000 O   0  5
    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
   -1.2990    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
   -1.2990   -5.2500    0.0000 C   0  0
   -2.5981   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   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
    0.0000   -1.5000    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  8  1  0
 13 14  2  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  2  1  0
 15 19  1  0
 19  2  1  0
 19  6  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21917

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Oxymatrine

> <ctcr_id>
2544

> <supplier_cmpd_id>
T2754

> <smiles>
[O-][N+]12CCCC3CN4C(CCCC4=O)C(CCC1)C23

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Oxymatrine,Oxysophoridine,"Sophoridine N-oxide","Sophoridine Noxide",54809-74-4,54809744,16837-52-8,16837528,"Sophoridine, N-oxide","Sophoridine, Noxide",SCHEMBL12994027,NSC142988,NSC-142988,DB-05031
9,DB050319,FT-0690482,FT0690482,T2754,S2338}

> <pdid>
PD001185

> <targets>
{Others,Apoptosis,TGF-beta/Smad}

> <classes>
{Others,Apoptosis,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{285670}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 20 22  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
   -7.7942   -1.5001    0.0000 O   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
 13 15  1  0
 15 16  2  0
 16  9  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19  6  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21918

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Emodin

> <ctcr_id>
1255

> <supplier_cmpd_id>
T2869

> <smiles>
Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

> <pd_targets>
{TSHR,MAPT,CYP2C19,ALDH1A1,APEX1,POLB,CSNK2A1,CSNK2B,PIM1,ESR1,ESR2,EPHX2,AKR1B1,CYP1A2,CSNK2A2,PSMB1,MAPK1,LMNA,LEF,THPO,HIF1A,CYP2D6,CYP3A4,GMNN,CTSL,AGRA,ELANE,PSMB2,PTP4A3,ACK2,LCK,CYP1A1,KMT2A,ME
N1,RORC,ALOX15,NPC1,BLM,HSD17B10,PSMB5,FTL,CYP2C9,AHR}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein","Epigenetic regulator",Transporter,"Family A G protein-coupled receptor","Cy
tochrome P450",Oxidoreductase,Kinase,"Nuclear receptor",Protease,Transferase,Phosphatase,Reader,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Protein Kinase","Nuclear hormone receptor
 subfamily 3","Serine protease","Cytochrome P450 family 1","Threonine protease","Metallo protease","Cytochrome P450 family 3","Cysteine protease","Protein Phosphatase",Bromodomain,"Nuclear hormone rec
eptor subfamily 1","Glycohormone receptor","Cytochrome P450 family 2C","Other protein kinase group","CAMK protein kinase group","Nuclear hormone receptor subfamily 3 group A","Serine protease SC clan"
,"Cytochrome P450 family 1A","Threonine protease PBT clan","CMGC protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cysteine protease CA clan","
Serine protease PA clan","Tyrosine protein phosphatase","TK protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 2C19","Other protein kinase CK2 family","CAMK protein 
kinase PIM family","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Serine protease S33 family","Cytochrome P450 1A1","Threonine proteas
e T1A subfamily","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 3A4","Cysteine protease C1A family","Serine protease S1A subfamily","Tyrosine pr
otein kinase Src family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Catalytic receptors",Hydrolases,"1.-.-.- Oxi
doreductases","Peptidases and proteinases","Eicosanoid turnover","SLC superfamily of solute carriers","Aryl hydrocarbon receptor","Glycoprotein hormone receptors","CYP2 family: drug metabolising subse
t","CAMK: Calcium/calmodulin-dependent protein kinases","Steroid hormone receptors","Receptor kinases","CYP1 family","PB: Threonine (T) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP
3 family","CA: Cysteine (C) Peptidases","PA: Serine (S) Peptidases","1F. Retinoic acid-related orphans",Lipoxygenases,"SLC65 NPC-type cholesterol transporters","PIM family","3A. Estrogen receptors","O
ther protein kinases","T1: Proteasome","Mitogen-activated protein kinases (MAP kinases)","C1: Papain","S1: Chymotrypsin","TK: Tyrosine kinase","Casein kinase 2 (CK2) family","ERK subfamily","Non-recep
tor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{Disease,"Neuronal System",Metabolism,"DNA Repair","Gene expression (Transcription)","Signal Transduction","Cell Cycle","Immune System",Hemostasis,"Cellular responses to external stimuli","Transport o
f small molecules","Vesicle-mediated transport","Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Base Excision Repair","Diseases of signal transduction by growth f
actor receptors and second messengers","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metabolism of lipids",Mitotic,"Innate Immune System","Platelet activation","sig
naling and aggregation","Cellular responses to stress","Plasma lipoprotein assembly",remodeling,"and clearance","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Membrane T
rafficking","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Resolution of Abasic Sites (AP sites)","FLT3 signaling 
in disease","Generic Transcription Pathway","PIP3 activates AKT signaling","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Regulation of mitotic cell cycle","Toll
-like Receptor Cascades","M Phase","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Mitotic G1 phase and G1/S transition","SARS-CoV Infe
ctions","Complement cascade","HIV Infection","Plasma lipoprotein clearance","Homology Directed Repair","Branched-chain amino acid catabolism","trans-Golgi Network Vesicle Budding","Leishmania parasite
 growth and survival","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide patc
h replacement pathway","Signaling by FLT3 ITD and TKD mutants","Transcriptional regulation by RUNX1","Transcriptional Regulation by TP53","Negative regulation of the PI3K/AKT network","Biosynthesis of
 DHA-derived SPMs","Metabolism of steroid hormones","APC/C-mediated degradation of cell cycle proteins","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Uptake and function of a
nthrax toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","G1/S Transition","SARS-CoV-1 Infection","Regulation of Complement cascade","Host Interactions of HIV factors"
,"Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","LDL clearance","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogen
esis","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xenobiotics,"PCNA-Dependent Long Patch Base Excision Repair","STAT5 activation downstr
eam of FLT3 ITD mutants","RUNX1 regulates estrogen receptor mediated transcription","Regulation of TP53 Activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of maresins","Pregnenol
one biosynthesis","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Activation of the pre-replicative comp
lex","Attachment and Entry","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","HDR through Homologous R
ecombination (HRR)","Endogenous sterols","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Regulation of TP53 Activity through Pho
sphorylation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","APC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Bios
ynthesis of maresin-like SPMs","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Biosynthesis of DPAn-3-derived protectins and resolvins","Homologous DN
A Pairing and Strand Exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear events mediated by MAP kinases","Initiat
ion of Nuclear Envelope (NE) Reformation","Nef Mediated CD4 Down-regulation","Presynaptic phase of homologous DNA pairing and strand exchange","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","E
RK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CSNK2A1}

> <broad_moa>
{"11-beta hydroxysteroid dehydrogenase inhibitor"}

> <synonyms>
{emodin,518-82-1,518821,Emodol,"Frangula emodin","1,3,8-trihydroxy-6-methylanthracene-9,10-dione","1,3,8trihydroxy6methylanthracene9,10dione",Schuttgelb,"Rheum emodin",Archin,"Frangulic acid","3-Methy
l-1,6,8-trihydroxyanthraquinone","3Methyl1,6,8trihydroxyanthraquinone","Persian Berry Lake",9,10-Anthracenedione,10Anthracenedione,1,3,8-trihydroxy-6-m,8trihydroxy6m,T2869,NSC408120,"NSC 408120",Emodi
n,EMODIN}

> <pdid>
PD001535

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3220}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 17 18  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   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
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    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 Cl  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  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 12 14  2  0
  8 15  1  0
 15 16  2  0
 16  5  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21919

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Hydrochlorothiazide

> <ctcr_id>
3072

> <supplier_cmpd_id>
T1449

> <smiles>
N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl

> <pd_targets>
{CA14,CA4,CA13,CA7,CA5A,CA2,CA1,THRB,LMNA,CA12,1272966,CA9,CA5B,CA6,PMP22,APEX1,SLC12A3,KCNMA1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Ion channel",Lyase,"Nuclear receptor","Electrochemical transporter","Voltage-gated ion channel","Nuclear horm
one receptor subfamily 1","SLC superfamily of solute carriers","Potassium channels","Nuclear hormone receptor subfamily 1 group A","SLC12 family of cation-coupled chloride transporters","Calcium-activ
ated potassium channel","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Carbonic anhydrases","Nuclear hormone receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","1A. Thyroid hormone receptors","SLC1
2 family of cation-coupled chloride transporters","Potassium channels","Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Metabolism of proteins","Cell Cycle","Cellular responses to external stimuli","Developmental Biology","DNA Repair",Disease,Hemostasis,"Rever
sible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Post-translational protein modification",Mitotic,"Cellular responses to stress","Nervous sys
tem development","Base Excision Repair","Disorders of transmembrane transporters","Platelet homeostasis","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins",SUMOylatio
n,"M Phase","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","SLC transporter disorders","Nitric oxide stimulates
 guanylate cyclase","Interleukin-12 family signaling","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Resoluti
on of AP sites via the multiple-nucleotide patch replacement pathway","Defective SLC12A3 causes Gitelman syndrome (GS)","cGMP effects","Interleukin-12 signaling","SUMOylation of intracellular receptor
s","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA1,CA12,CA2,CA4,CA9,KCNMA1,SLC12A3}

> <broad_moa>
{"thiazide diuretic"}

> <synonyms>
{hydrochlorothiazide,58-93-5,58935,HCTZ,Esidrix,Hypothiazide,Oretic,Dichlotiazid,Hidrotiazida,Hydrochlorothiazid,Hydrochlorthiazide,Hydrodiuretic,Hydrosaluric,Servithiazid,Aquarills,Aquarius,Dichlotri
de,Diclotride,Disalunil,Hypothiazid,Idrotiazide,M,T1449,SAM002554901,1500335,Prestw-9,Hydrochlorothiazide,CPD000035778,HYDROCHLOROTHIAZIDE}

> <pdid>
PD002304

> <targets>
{Potassium Channel,TGF-beta/Smad}

> <classes>
{diuretic,Membrane Transporter/Ion Channel,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{3639}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 24 24  0  0  0  0            999 V2000
   16.6971   -1.1159    0.0000 H   0  3
   14.1971   -1.1159    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.4007   -1.4818    0.0000 C   0  0
   11.6971   -0.7274    0.0000 C   0  0
   11.6919    0.7726    0.0000 C   0  0
   10.3903    1.5181    0.0000 C   0  0
    9.0939    0.7636    0.0000 C   0  0
    2.6003   -1.4977    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
   -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  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 12  1  0
 12 13  2  0
 13  8  1  0
  4 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 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21920

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Naftifine hydrochloride

> <ctcr_id>
2156

> <supplier_cmpd_id>
T1543

> <smiles>
[H+].[Cl-].CN(C\C=C\c1ccccc1)Cc2cccc3ccccc23

> <pd_targets>
{SQLE,ATM,CRTN,ERG2,SIGMAR1,EBP}

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

> <pathway_chembl>
{Enzymes,"Other protein targets","Lanosterol biosynthesis pathway","Kinases (EC 2.7.x.x)","Sigma receptors",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family 
kinases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Metabolism of lipids","Cell Cycle Checkpoints","Infectious disease","Metabolism of steroids","G1/S DNA Damage Checkpoints","SARS-CoV Infections","Regulation of choles
terol biosynthesis by SREBP (SREBF)","p53-Dependent G1/S DNA damage checkpoint","Potential therapeutics for SARS","Cholesterol biosynthesis","Activation of gene expression by SREBF (SREBP)","p53-Depen
dent G1 DNA Damage Response","Cholesterol biosynthesis via desmosterol","Stabilization of p53","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{AKOS026750142,"NAFTIFINE HYDROCHLORIDE",65473-14-5,65473145,"Naftifine HCl",Naftin,Exoderil,Naftifungin,"Naftifine (hydrochloride)","AW 105-843","AW 105843",UNII-25UR9N9041,UNII25UR9N9041,CHEBI:7452,
Naftifin,MFCD00059047,25UR9N9041,N-trans-Cinnamyl-N-m,NtransCinnamylNm,T1543,Prestw-1063,"Naftifine hydrochloride"}

> <pdid>
PD010051

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{67108133,5281098}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21921

> <plate>
PLATE 001

> <well>
B4

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 36 40  0  0  0  0            999 V2000
    6.4540  -12.7606    0.0000 C   0  0
    5.1560  -12.0088    0.0000 N   0  0
    3.8547  -12.7565    0.0000 C   0  0
    2.5560  -12.0043    0.0000 C   0  0
    1.2544  -12.7497    0.0000 C   0  0
   -0.0421  -11.9952    0.0000 C   0  0
   -0.0368  -10.4952    0.0000 C   0  0
   -1.3333   -9.7407    0.0000 C   0  0
    1.2648   -9.7497    0.0000 C   0  0
    1.2731   -8.2489    0.0000 N   0  0
    2.5765   -7.5048    0.0000 C   0  0
    3.8716   -8.2615    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   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 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
    1.2954    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
   -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
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5612  -10.5043    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
  7  9  1  0
  9 10  1  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  1  0
 18 19  2  0
 19 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
 20 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 27  1  0
 32 33  2  0
 33 18  1  0
 16 34  1  0
 34 35  2  0
 35 13  1  0
  9 36  2  0
 36  4  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21922

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
BMS-833923

> <ctcr_id>
6097

> <supplier_cmpd_id>
T2299

> <smiles>
CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(c4ccccc4)c5ccccc5n3)cc2)c1

> <pd_targets>
{SMO}

> <pathway_gtopdb>
{"Membrane receptor","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance","Cilium Assembly","Cargo trafficking to the periciliary membrane","BBSome-mediated cargo-targeting to cilium"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor antagonist"}

> <synonyms>
{MS83392,BMS-833923,BMS833923,1059734-66-5,1059734665,"BMS 833923",XL139,"XL 139",XL-139,UNII-41J7ZJ239R,UNII41J7ZJ239R,"BMS-833923 (XL-139)","BMS833923 (XL139)",41J7ZJ239R,C30H27N5O,"BMS-833923 free 
base anhydrous","BMS833923 free base anhydrous","XL139 mesylate",GTPL8202,SCHEMBL4138073,CHEMBL3545403,EX-A789,EXA789,HMS3653O09,AOB87352,T2299,S7138}

> <pdid>
PD010603

> <targets>
{Hedgehog/Smoothened,Apoptosis,Smo}

> <classes>
{GPCR & G Protein,Apoptosis,Stem Cell/Wnt}

> <pubchem_cids>
{57662985}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21923

> <plate>
PLATE 001

> <well>
B6

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 29 32  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 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
   -0.0103    7.5017    0.0000 C   0  0
   -1.3123    8.2482    0.0000 C   0  0
   -2.6088    7.4938    0.0000 O   0  0
   -1.3178    9.7490    0.0000 N   0  0
   -2.6198   10.4955    0.0000 C   0  0
   -2.6274   11.9955    0.0000 C   0  0
   -3.9302   12.7389    0.0000 C   0  0
   -5.2255   11.9824    0.0000 C   0  0
   -5.2179   10.4824    0.0000 C   0  0
   -3.9151    9.7390    0.0000 C   0  0
   -6.5289   12.7262    0.0000 C   0  0
   -6.5390   14.2262    0.0000 C   0  0
   -7.8430   14.9675    0.0000 C   0  0
   -9.1370   14.2089    0.0000 C   0  0
   -9.1271   12.7090    0.0000 N   0  0
   -7.8231   11.9676    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  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  4  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  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
 19 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  2  0
 29  8  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21924

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Wnt-C59

> <ctcr_id>
2229

> <supplier_cmpd_id>
T2242

> <smiles>
Cc1cc(ccn1)c2ccc(CC(=O)Nc3ccc(cc3)c4cccnc4)cc2

> <pd_targets>
{PORCN}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"porcupine inhibitor"}

> <synonyms>
{"NTC59 (C59",Wnt-C59,WntC59,1243243-89-1,1243243891,2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide,2(4(2methylpyridin4yl)phenyl)N(4(pyridin3yl)phenyl)acetamide,"Wnt-C59 (C59)"
,"WntC59 (C59)",CHEMBL2139947,C25H21N3O,4-(2-Methyl-4-pyridinyl)-N-(4-(3-pyridinyl)phenyl)benzeneacetamide,4(2Methyl4pyridinyl)N(4(3pyridinyl)phenyl)benzeneacetamide,2-(4-(2-methylpyridin-4-yl)phenyl)
-N-(4-,2(4(2methylpyridin4yl)phenyl)N(4,T2242,S7037}

> <pdid>
PD010644

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{57519544}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21925

> <plate>
PLATE 001

> <well>
B8

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   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
    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 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 N   0  0
   -5.1932   -3.0039    0.0000 C   0  0
   -6.4896   -3.7585    0.0000 C   0  0
   -6.4844   -5.2585    0.0000 C   0  0
   -5.1828   -6.0040    0.0000 C   0  0
   -3.8863   -5.2495    0.0000 C   0  0
   -2.5847   -5.9950    0.0000 Cl  0  0
   -3.8915   -3.7495    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 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    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  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  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  1  0
 17 19  2  0
 19 13  1  0
 11 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  7  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21926

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Silmitasertib

> <ctcr_id>
4306

> <supplier_cmpd_id>
T2259

> <smiles>
OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,DYRK1A,DYRK1B,TBK1,PIM1,CCNB1,CCNB2,CCNB3,CDK1,DAPK3,CLK2,PIM2,CLK3,HIPK3,FLT3,CCNE1,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Protein kinase regulatory subunit","Other protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TK protein kinase group","Other protein kinase
 CK2 family","CMGC protein kinase DYRK family","Other protein kinase IKK family","CAMK protein kinase PIM family","CMGC protein kinase CDK family","CAMK protein kinase DAPK family","CMGC protein kinas
e CLK family","Tyrosine protein kinase PDGFR family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Dual-specificit
y tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Other protein kinases","PIM family","Death-associated kinase (DAPK) family","CLK family","TK: Tyrosine kinase","Dyrk1 subfamily","Casein
 kinase 2 (CK2) family","IKK family","HIPK subfamily","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Immune System",Disease,"Programmed Cell Death","Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Innate Immune System","Diseases of sign
al transduction by growth factor receptors and second messengers",Apoptosis,"Signaling by Receptor Tyrosine Kinases","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Toll-like R
eceptor Cascades","FLT3 signaling in disease","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Insulin receptor","G0 and Early G1","Transcriptional Regulation by TP53","To
ll Like Receptor 4 (TLR4) Cascade","Signaling by FLT3 ITD and TKD mutants","Caspase activation via Dependence Receptors in the absence of ligand","Insulin receptor signalling cascade","Regulation of T
P53 Activity","MyD88-independent TLR4 cascade","STAT5 activation downstream of FLT3 ITD mutants","IRS-mediated signalling","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated 
TLR4 signaling","PI3K Cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{CSNK2A1,CSNK2A2,DAPK3,HIPK3}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{X494,Silmitasertib,1009820-21-6,1009820216,CX-4945,CX4945,"5-((3-Chlorophenyl)amino)benzo(c)(2,6)naphthyridine-8-carboxylic acid","5((3Chlorophenyl)amino)benzo(c)(2,6)naphthyridine8carboxylic acid","
CX-4945 (Silmitasertib)","CX4945 (Silmitasertib)","CX 4945",UNII-C6RWP0N0L2,UNIIC6RWP0N0L2,"5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid","5(3chlorophenylamino)benzo(c)(2,6)naph
thyridine8carboxylic acid",5-((3-chlo,5((3chlo,T2259,S2248,SY-CX-4945,silmitasertib}

> <pdid>
PD003261

> <targets>
{"Casein Kinase",Others,PKC,CK2}

> <classes>
{Others}

> <pubchem_cids>
{24748573}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 23 25  0  0  0  0            999 V2000
    2.6531  -10.0886    0.0000 C   0  0
    1.1844   -9.7837    0.0000 O   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6931   -6.3225    0.0000 O   0  0
   -3.6915   -7.4420    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 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.3032   -3.9893    0.0000 O   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
    1.2449   -5.8157    0.0000 C   0  0
    2.2478   -4.6992    0.0000 O   0  0
    3.7156   -5.0084    0.0000 C   0  0
    1.7131   -7.2408    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
  5  8  2  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 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 10  1  0
 19 14  1  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23  3  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21927

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
IC261

> <ctcr_id>
4966

> <supplier_cmpd_id>
T2440

> <smiles>
COc1cc(OC)c(C=C2C(=O)Nc3ccccc23)c(OC)c1

> <pd_targets>
{LMNA,PMP22,THPO,CSNK1D,FTL,CYP2C19,NFO,LEF,BLM,HPGD,HIF1A,ALDH1A1,CYP2C9,CSNK1E,CHRM1,CYP3A4,CSNK1A1,MAPT,TP53,GMNN,CYP1A2,MAPK1}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein",Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein",Kinase,"Cytochrome P450",Hydrolase,Protease,Oxidoreductase,"Family A G prote
in-coupled receptor","Protein Kinase","Cytochrome P450 family 2","Metallo protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","CK1 protein kinase 
group","Cytochrome P450 family 2C","Metallo protease MAE clan","Monoamine receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","CMGC protein kinase group","CK1 protein kinase CK1 family",
"Cytochrome P450 2C19","Metallo protease M34 family","Cytochrome P450 2C9","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase MAPK family","CMGC protein kinase E
RK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","CK1: Casein kinase 1","CYP2 family: drug metabolising subset","Prostaglandin synthases"
,"Acetylcholine receptors (muscarinic)","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","ER
K subfamily"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology",Hemostasis,"Vesicle-mediated transport",Metabolism,Disease,"DNA Repair","Cellular responses to external stimuli","Signal Transduction","Neuronal System","Immune S
ystem",Mitotic,"Nervous system development","Platelet activation","signaling and aggregation","Membrane Trafficking","Biological oxidations","Infectious disease","DNA Double-Strand Break Repair","Meta
bolism of lipids","Cellular responses to stress","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","Cell Cy
cle Checkpoints","Innate Immune System","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","Mitotic G2-G2/M phases","trans-Golgi Network
 Vesicle Budding","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular r
esponse to hypoxia","GPCR ligand binding","Signaling by WNT in cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transi
tion","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","G2/M Transition","Golgi Associated Vesicle Biogenesis","Cytochrome P450 - arranged by substrate type","Uptake and function of anth
rax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",
"Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Signaling by AMER1 mutants","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","G1/S Transiti
on","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Anaphase","Centrosome maturation",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Amine ligand-binding
 receptors","Biosynthesis of maresins","Truncations of AMER1 destabilize the destruction complex","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Activation of the pre-r
eplicative complex","MyD88 cascade initiated on plasma membrane","Nuclear Envelope (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","CYP2E1 reac
tions","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Stabilization of p53","Aromatic 
amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologo
us DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CSNK1A1,CSNK1D,CSNK1E,CSNK1G2}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{8661152,186611-52-9,186611529,"3-((2,4,6-trimethoxyphenyl)methylidene)-1H-indol-2-one","3((2,4,6trimethoxyphenyl)methylidene)1Hindol2one",IC-261,IC261,SU5607,"(E)-3-(2,4,6-trimethoxybenzylidene)indol
in-2-one","(E)3(2,4,6trimethoxybenzylidene)indolin2one","1,3-Dihydro-3-((2,4,6-trimethoxyphenyl)methylene)-2H-indol-2-one","1,3Dihydro3((2,4,6trimethoxyphenyl)methylene)2Hindol2one",Maybridge3_000754,
Maybridge3000754,Maybridge3-000754,"Maybridge3 000754",CHEMBL576349,GTPL5985,3,T2440,"EMD 400090",400090}

> <pdid>
PD002683

> <targets>
{"Casein Kinase"}

> <classes>
{}

> <pubchem_cids>
{3674}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21928

> <plate>
PLATE 001

> <well>
B11

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 21 23  0  0  0  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
   -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 C   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 C   0  0
   -2.6016   -7.4988    0.0000 C   0  0
   -2.5992   -5.9988    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   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  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
 11 12  1  0
 12  7  1  0
 12 13  2  0
 10 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
  4 21  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21929

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Wogonin

> <ctcr_id>
11420

> <supplier_cmpd_id>
T2933

> <smiles>
COc1c(cc(c2c1oc(cc2=O)c1ccccc1)O)O

> <pd_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,PTGS2,CCNT1,CDK9,KDM1A,CCNA2,CDK2,NOS2,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator","Ligand-gated ion channel",Oxidoreductase,Kinase,Eraser,"GABA-A receptor","Protein Kinase","Lysine demethylase","CMGC protein kinase group","Lysine-specifi
c demethylase","CMGC protein kinase CDK family","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","L-Arginine turnover",Cyclooxygenase,"1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","Nitric oxide synthases","Cyclin-dependent kinase (CDK) family","CDK1 subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)",Disease,"Metabolism of lipids","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Infectious disease"
,"Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Generic Transcription Pathway","Infection with Mycobacterium tuberculosis","Biosynthesis of DPA-derived SPM
s","PTEN Regulation","Transcriptional Regulation by TP53","Response of Mtb to phagocytosis","Biosynthesis of DPAn-3 SPMs","Regulation of PTEN gene transcription","Regulation of TP53 Activity","Suppres
sion of phagosomal maturation","Regulation of TP53 Expression and Degradation","Inhibition of nitric oxide production","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MFCD00017736,Wogonin,632-85-9,632859,"5,7-Dihydroxy-8-methoxyflavone","5,7Dihydroxy8methoxyflavone",Vogonin,"4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-","4H1Benzopyran4one, 5,7dihydroxy
8methoxy2phenyl","Norwogonin 8-methyl ether","Norwogonin 8methyl ether",UNII-POK93PO28W,UNIIPOK93PO28W,"5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one","5,7dihydroxy8methoxy2phenyl4Hchromen4one",5,
7-dihydroxy-8-meth,7dihydroxy8meth,T2933}

> <pdid>
PD011960

> <targets>
{CDK}

> <classes>
{"Cell Cycle/Checkpoint"}

> <pubchem_cids>
{5281703}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 30 35  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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0  2  0  0  0
   -4.9999    0.6697    0.0000 C   0  0
   -6.2788   -0.1141    0.0000 C   0  0
   -6.2395   -1.6136    0.0000 C   0  0
   -7.3272   -2.6454    0.0000 C   0  0
   -8.8214   -2.5272    0.0000 C   0  0
   -9.6710   -3.7634    0.0000 C   0  0
   -9.0252   -5.1173    0.0000 C   0  0
   -9.8748   -6.3535    0.0000 C   0  0
   -9.2290   -7.7073    0.0000 C   0  0
  -10.0786   -8.9435    0.0000 O   0  0
   -7.7336   -7.8250    0.0000 C   0  0
   -6.8841   -6.5888    0.0000 C   0  0
   -7.5299   -5.2349    0.0000 C   0  0  1  0  0  0
   -6.0345   -5.3523    0.0000 C   0  0
   -6.6814   -3.9993    0.0000 C   0  0
   -5.1942   -3.8035    0.0000 C   0  0
   -4.9213   -2.3293    0.0000 C   0  0
   -3.6424   -1.5456    0.0000 C   0  0
   -2.3422   -2.2936    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0  1  0  0  0
   -3.1882    2.6401    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
  6  8  1  0
  9  8  1  1
  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  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 13  1  0
 24 25  1  0
 25 26  1  0
 26 12  1  0
 26 27  2  3
 27  9  1  0
 27 28  1  0
  9 29  1  0
 29  5  1  0
 29 30  1  1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21930

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Cyclopamine

> <ctcr_id>
7898

> <supplier_cmpd_id>
T2825

> <smiles>
CC1CNC2C(C1)O[C@@]3(CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC4=C3C)[C@H]2C

> <pd_targets>
{SMO,SHH,GLI1}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Transcription factor","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Signal Transduction","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Hedgehog","Carg
o trafficking to the periciliary membrane","Hh mutants abrogate ligand secretion","Hedgehog 'off' state","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np","Degradatio
n of GLI1 by the proteasome"}

> <broad_targets>
{}

> <broad_moa>
{"hedgehog pathway inhibitor"}

> <synonyms>
{CYCLOPAMINE,11-Deoxojervine,11Deoxojervine,4449-51-8,4449518,11-Deoxyjervine,11Deoxyjervine,UNII-ZH658AJ192,UNIIZH658AJ192,CHEBI:4021,CHEMBL254129,ZH658AJ192,"(3beta,22S,23R)-17,23-epoxyveratraman-3-
ol","(3beta,22S,23R)17,23epoxyveratraman3ol","HSDB 3505",CY8,(3H)-Cyclopamine,(3H)Cyclopamine,"Jervine, 11-deoxo-","Jervine, 11deoxo",DSSTox_CID_23709,DSSToxCID23709,DSSTox-CID-23709,"DSSTox CID 23709
",DSSTox_RID_80067,DSSToxRID80067,DSSTox-RID-80067,"DSSTox RID 80067",DSSTo,S1146,Cyclopamine}

> <pdid>
PD001190

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{442972}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 27 29  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 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
   -2.6012    3.0008    0.0000 O   0  0
   -3.9013    3.7490    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0031    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 O   0  0
   -3.9013   -3.7490    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    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
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  2  0
 26 13  1  0
 26 27  1  0
 27  9  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21931

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Tangeretin

> <ctcr_id>
1740

> <supplier_cmpd_id>
T2842

> <smiles>
COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2

> <pd_targets>
{OPRD1,CYP3A4,OPRM1,ALDH1A1,KMT2A,MEN1,ABCG2,ABCB1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator",Transporter,"Family A G protein-coupled receptor","Cytochrome P450",Oxidoreductase,Reader,"Primary active transporter","Peptide receptor (family A GP
CR)","Cytochrome P450 family 3",Bromodomain,"ATP-binding cassette","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","ABCG subfamily","ABCB subfamily","Opioid receptor","Cytochrome 
P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","Opioid receptors","CYP3 family","ABCG subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","Biological oxidations","Abacavir transport and metabolism","GPCR ligand binding","Biosynthesis of specialized proresolving
 mediators (SPMs)","GPCR downstream signalling","Phase I - Functionalization of compounds","Abacavir transmembrane transport","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs",
"G alpha (i) signalling events","Ethanol oxidation","Peptide ligand-binding receptors","Biosynthesis of maresins","Opioid Signalling","Biosynthesis of maresin-like SPMs","G-protein activation"}

> <broad_targets>
{}

> <broad_moa>
{"cell cycle inhibitor"}

> <synonyms>
{Tangeretin,481-53-8,481538,Tangeritin,Ponkanetin,Pentamethoxyflavone,"4',5,6,7,8-Pentamethoxyflavone","4',5,6,7,8Pentamethoxyflavone","5,6,7,8,4'-Pentamethoxyflavone","5,6,7,8,4'Pentamethoxyflavone",
"Tangeretin (6CI)","4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-","4H1Benzopyran4one, 5,6,7,8tetramethoxy2(4methoxyphenyl)",5,6,7,8-tetramethoxy-2-(4-met,8tetramethoxy2(4met,T2842,
1505269,TANGERITIN}

> <pdid>
PD000531

> <targets>
{Apoptosis,Notch}

> <classes>
{Apoptosis,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{68077}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
   -3.9477   -7.1844    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
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 S   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -6.4964    0.7590    0.0000 O   0  0
   -7.7996   -1.4883    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  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 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  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 15 22  2  0
 22  8  1  0
 22 11  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21932

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
TTP 22

> <ctcr_id>
7651

> <supplier_cmpd_id>
T1828

> <smiles>
Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase CK2 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{CSNK2A1}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{"TTP 22",329907-28-0,329907280,TTP22,"3-(5-(4-methylphenyl)thieno(2,3-d)pyrimidin-4-yl)sulfanylpropanoic acid","3(5(4methylphenyl)thieno(2,3d)pyrimidin4yl)sulfanylpropanoic acid","3-((5-(p-Tolyl)thie
no(2,3-d)pyrimidin-4-yl)thio)propanoic acid","3((5(pTolyl)thieno(2,3d)pyrimidin4yl)thio)propanoic acid",TTP-22,3-((5-(4-methylphenyl)thieno(2,3((5(4methylphenyl)thieno(2,"3-d)pyrimidin-4-yl)sulfanyl)p
ropanoic aci","3d)pyrimidin4yl)sulfanyl)propanoic aci",T1828,nan}

> <pdid>
PD012573

> <targets>
{"Casein Kinase 2","Casein Kinase II Inhibitor","Casein Kinase"}

> <classes>
{Cell Cycle/DNA Damage,Stem Cell/Wnt}

> <pubchem_cids>
{1536915}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 39 45  0  0  0  0            999 V2000
    2.3114    6.1476    0.0000 C   0  0
    3.7495    6.5741    0.0000 C   0  0
    4.8379    5.5420    0.0000 C   0  0
    4.4886    4.0883    0.0000 C   0  0
    3.0502    3.6568    0.0000 C   0  0
    1.9618    4.6889    0.0000 C   0  0
    5.4967    2.9766    0.0000 N   0  0
    6.9879    3.1386    0.0000 C   0  0
    7.6028    1.7704    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7980   -1.4850    0.0000 N   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1000   -3.7359    0.0000 C   0  0
    9.1000   -5.2359    0.0000 C   0  0
    7.8010   -5.9859    0.0000 C   0  0
    6.5020   -5.2359    0.0000 C   0  0
    6.5020   -3.7359    0.0000 C   0  0
    7.8010   -7.4867    0.0000 N   0  0
    9.0988   -8.2389    0.0000 C   0  0
    9.0965   -9.7389    0.0000 C   0  0
    7.7962  -10.4868    0.0000 O   0  0
    6.4984   -9.7347    0.0000 C   0  0
    6.5008   -8.2347    0.0000 C   0  0
    5.2007   -1.4909    0.0000 N   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
   -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 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
    3.8939    0.7546    0.0000 N   0  0
    5.1903    1.5091    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  2  0
  9 10  1  0
 10 11  2  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  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 11 25  1  0
 25 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 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
 26 38  1  0
 38 39  2  0
 39  7  1  0
 39 10  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21933

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Purmorphamine

> <ctcr_id>
1205

> <supplier_cmpd_id>
T1810

> <smiles>
C1CCC(CC1)n2cnc3c(Nc4ccc(cc4)N5CCOCC5)nc(Oc6cccc7ccccc67)nc23

> <pd_targets>
{SMO,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Cargo trafficking to the periciliary membrane","Hh
 mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor agonist"}

> <synonyms>
{Purmorphamine,483367-10-8,483367108,2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine,2(1Naphthoxy)6(4morpholinoanilino)9cyclohexylpurine,"Shh Signaling Antagonist VI",UNII-PB12M2F8KY,UNIIPB
12M2F8KY,PB12M2F8KY,CHEMBL1221984,CHEBI:63053,9-cyclohexyl-N-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-ami,9cyclohexylN(4morpholinophenyl)2(naphthalen1yloxy)9Hpurin6ami,T1810,10009634,S30
42,purmorphamine}

> <pdid>
PD003344

> <targets>
{Hedgehog/Smoothened,Autophagy,Smo}

> <classes>
{Stem Cells & Wnt,Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{5284329}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21934

> <plate>
PLATE 001

> <well>
C7

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 37 41  0  0  0  0            999 V2000
    7.7931   -3.0140    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 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 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6199    3.9798    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 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
    6.4870   -5.2605    0.0000 C   0  0
    5.1855   -6.0062    0.0000 O   0  0
    7.7840   -6.0157    0.0000 C   0  0
    7.7817   -7.5157    0.0000 C   0  0
    9.0795   -8.2678    0.0000 C   0  0
   10.3798   -7.5199    0.0000 C   0  0
   11.6776   -8.2719    0.0000 F   0  0
   10.3822   -6.0199    0.0000 C   0  0
    9.0844   -5.2678    0.0000 C   0  0
    6.4808   -8.2640    0.0000 C   0  0
    5.1825   -7.5128    0.0000 F   0  0
    6.4789   -9.7640    0.0000 F   0  0
    5.1809   -9.0126    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  8  1  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 17  1  0
 17 13  1  0
 17 18  1  0
 12 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24  9  1  0
 24 19  1  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 27  1  0
 28 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21935

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Taladegib

> <ctcr_id>
11673

> <supplier_cmpd_id>
T2666

> <smiles>
CN(C1CCN(CC1)c1nnc(c2ccnn2C)c2ccccc12)C(=O)c1c(cc(F)cc1)C(F)(F)F

> <pd_targets>
{SMO}

> <pathway_gtopdb>
{"Membrane receptor","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance","Cilium Assembly","Cargo trafficking to the periciliary membrane","BBSome-mediated cargo-targeting to cilium"}

> <broad_targets>
{DHH,IHH,SMO}

> <broad_moa>
{"smoothened receptor antagonist"}

> <synonyms>
{Taladegib,1258861-20-9,1258861209,LY2940680,LY-2940680,UNII-QY8BWX1LJ5,UNIIQY8BWX1LJ5,"Taladegib (LY2940680)","LY 2940680",QY8BWX1LJ5,"1258861-20-9 (free base)","1258861209 (free base)","Taladegib (U
SAN:INN)","Taladegib (USAN/INN)",cc-431,cc431,MLS006011066,LY-2940680(Taladegib),LY2940680(Taladegib),SCHEMBL2128615,CHEMBL2,T2666}

> <pdid>
PD012766

> <targets>
{Smoothened,Smo}

> <classes>
{GPCR/G Protein,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{49848070}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 16 18  0  0  0  0            999 V2000
    3.1202   -2.0921    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    1.0157   -3.6164    0.0000 N   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.9985   -6.2503    0.0000 C   0  0
    3.2120   -5.3685    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 S   0  0
    0.5656    5.1112    0.0000 C   0  0
   -0.9298    4.9939    0.0000 C   0  0
   -1.2803    3.5354    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  4  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21936

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
Isx 9

> <ctcr_id>
8261

> <supplier_cmpd_id>
T2003

> <smiles>
O=C(NC1CC1)c2cc(on2)c3sccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{NEUROD1}

> <broad_moa>
{"neural stem cell inducer"}

> <synonyms>
{3211562,832115-62-5,832115625,ISX-9,ISX9,"isx 9","Isoxazole 9",Isx9,N-Cyclopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide,NCyclopropyl5(thiophen2yl)isoxazole3carboxamide,"Isoxazole 9 (ISX-9)","Isoxa
zole 9 (ISX9)","N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide","Ncyclopropyl5thiophen2yl1,2oxazole3carboxamide",N-Cyclopropyl-5-(2-thienyl)-3-isoxazolecarboxamide,NCyclopropyl5(2thienyl)3iso
xazolecarboxamide,N-cycloprop,Ncycloprop,T2003,4439,16165,"Isx 9","ISX 9","neuronal differentiation inducer III"}

> <pdid>
PD003425

> <targets>
{Calcium Channel}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{19582717}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21937

> <plate>
PLATE 001

> <well>
C10

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 24 26  0  0  0  0            999 V2000
    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
    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
    2.5972    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
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    7.7911    6.0075    0.0000 C   0  0
    7.7935    7.5076    0.0000 C   0  0
    9.0937    8.2556    0.0000 C   0  0
   10.3916    7.5036    0.0000 C   0  0
   10.3893    6.0036    0.0000 C   0  0
    9.0891    5.2556    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
  1  2  2  0
  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
  4  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  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
  1 24  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21938

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Kartogenin

> <ctcr_id>
11674

> <supplier_cmpd_id>
T1748

> <smiles>
C(=O)(c1c(cccc1)C(=O)Nc1ccc(cc1)c1ccccc1)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{FLNA}

> <broad_moa>
{"chondrocyte differentiation stimulator"}

> <synonyms>
{Kartogenin,4727-31-5,4727315,"2-((1,1'-Biphenyl)-4-ylcarbamoyl)benzoic acid","2((1,1'Biphenyl)4ylcarbamoyl)benzoic acid","2-((4-phenylphenyl)carbamoyl)benzoic acid","2((4phenylphenyl)carbamoyl)benzoi
c acid",UNII-Q93BBN11CP,UNIIQ93BBN11CP,"N-Biphenyl-4-yl-phthalamic acid","NBiphenyl4ylphthalamic acid","2-(((1,1'-biphenyl)-4-ylamino)carbonyl)benzoic acid","2(((1,1'biphenyl)4ylamino)carbonyl)benzoic
 acid",Q93BBN11CP,C20H15NO3,2-(bi,2(bi,T1748}

> <pdid>
PD012465

> <targets>
{Smad4,Smad5}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{2826191}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 22 23  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
   -2.5972   -1.5031    0.0000 N   0  3
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 O   0  5
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 S   0  0
    1.2948    3.7517    0.0000 O   0  0
    1.2973    2.2519    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1939    3.0097    0.0000 C   0  0
    6.4914    3.7624    0.0000 C   0  0
    6.4883    5.2624    0.0000 C   0  0
    5.1877    6.0097    0.0000 C   0  0
    3.8902    5.2570    0.0000 C   0  0
    5.1846    7.5097    0.0000 Cl  0  0
    5.1970    1.5097    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  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  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
 19 21  1  0
 16 22  1  0
M  CHG  2   8   1  10  -1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21939

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
FH535

> <ctcr_id>
11580

> <supplier_cmpd_id>
T2413

> <smiles>
Cc1c(ccc(c1)[N+](=O)[O-])NS(=O)(=O)c1c(ccc(c1)Cl)Cl

> <pd_targets>
{SLC9A3R1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{PPARD,PPARG}

> <broad_moa>
{"PPAR receptor antagonist","WNT signaling inhibitor"}

> <synonyms>
{FH535,108409-83-2,108409832,"2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide","2,5dichloroN(2methyl4nitrophenyl)benzenesulfonamide","beta-Catenin/Tcf Inhibitor, FH535","betaCatenin/Tcf Inhi
bitor, FH535",FH-535,"N-(2-Methyl-4-nitrophenyl)-2,5-dichlorobenzenesulfonamide","N(2Methyl4nitrophenyl)2,5dichlorobenzenesulfonamide","FH 535",C13H10Cl2N2O4S,CHEMBL2363137,2,5-dichloro-N-(2-methyl-4-
ni,5dichloroN(2methyl4ni,T2413}

> <pdid>
PD010299

> <targets>
{PPAR¦Ã,PPAR¦Ä,Wnt/¦Â-catenin,PPAR,Wnt,²-catenin}

> <classes>
{Cytoskeletal Signaling,Metabolism,Stem Cells,Cell Cycle/DNA Damage,Stem Cell/Wnt}

> <pubchem_cids>
{3463933}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 27 29  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
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8934    5.2570    0.0000 C   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -6.4915    5.2571    0.0000 C   0  0
   -7.7905    6.0071    0.0000 Cl  0  0
   -6.4915    3.7571    0.0000 C   0  0
   -5.1925    3.0070    0.0000 C   0  0
   -7.7912    3.0067    0.0000 C   0  0
   -9.0915    3.7546    0.0000 C   0  0
  -10.3894    3.0026    0.0000 C   0  0
  -10.3870    1.5026    0.0000 C   0  0
   -9.0868    0.7546    0.0000 C   0  0
   -7.7890    1.5067    0.0000 N   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  1  0
  9 11  2  0
 11  5  1  0
  8 12  1  0
 12 13  2  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
 18 20  1  0
 20 21  2  0
 21 15  1  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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21940

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
Vismodegib

> <ctcr_id>
5334

> <supplier_cmpd_id>
T2590

> <smiles>
C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)Nc2ccc(Cl)c(c2)c3ccccn3

> <pd_targets>
{ALB,SMO,SHH}

> <pathway_gtopdb>
{"Secreted protein","Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{Metabolism,"Organelle biogenesis and maintenance",Disease,"Metabolism of lipids","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of st
eroids","Cargo trafficking to the periciliary membrane","Hh mutants abrogate ligand secretion","Bile acid and bile salt metabolism","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palm
itoylate Hh-Np","Recycling of bile acids and salts"}

> <broad_targets>
{SMO}

> <broad_moa>
{"hedgehog pathway inhibitor","smoothened receptor antagonist"}

> <synonyms>
{DC044,Vismodegib,879085-55-9,879085559,GDC-0449,GDC0449,Erivedge,2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide,2chloroN(4chloro3(pyridin2yl)phenyl)4(methylsulfonyl)benzamid
e,"Vismodegib (GDC-0449)","Vismodegib (GDC0449)",HhAntag691,"GDC 0449","GDC-0449 (Vismodegib)","GDC0449 (Vismodegib)",UNII-25X868M3DS,UNII25X868M3DS,NSC-747691,NSC747691,2-Chloro-N-(4-chloro-3-(2-p,2C
hloroN(4chloro3(2p,T2590,755986,S1082,"NSC 755986"}

> <pdid>
PD004109

> <targets>
{Hedgehog,P-gp,Hedgehog Signaling Pathway,Autophagy}

> <classes>
{Smoothened Receptor Antagonist,Neuronal Signaling,Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{24776445}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 30 34  0  0  0  0            999 V2000
    7.7858   -9.1806    0.0000 N   0  0
    6.3110   -8.9071    0.0000 C   0  0
    5.3370  -10.0479    0.0000 O   0  0
    5.8106   -7.4921    0.0000 C   0  0
    6.7829   -6.3499    0.0000 C   0  0
    6.2798   -4.9368    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    3.8322   -5.8080    0.0000 C   0  0
    4.3352   -7.2212    0.0000 C   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
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    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 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  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
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 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 24  1  0
 29 30  2  0
 30 21  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21941

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
D 4476

> <ctcr_id>
2337

> <supplier_cmpd_id>
T2449

> <smiles>
NC(=O)c1ccc(cc1)c2[nH]c(c3ccccn3)c(n2)c4ccc5OCCOc5c4

> <pd_targets>
{CSNK1A1,CSNK1D,MAPK14,CKA1,CSNK1E,PRKD1,CSNK1G1,CSNK1G2,TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CK1 protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TKL protein kinase group","CK1 protein kinase CK1 family","CMGC protein kinase MAPK 
family","CMGC protein kinase CK subfamily","CAMK protein kinase PKD family","TKL protein kinase STKR family","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor ki
nases","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Protein kinase D (PKD) family","TKL: Tyrosine kinase-like","p38 subfamily","Receptor serine/threonine kinase (R
STK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Cell Cycle","Immune System",Metabolism,"Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Innate Immune System","Metabolism of lipids","Signaling by 
WNT in cancer","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Sphingolipid metabolism","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by AMER1 mutants","G2/M Transition","Toll 
Like Receptor 5 (TLR5) Cascade","Sphingolipid de novo biosynthesis","Loss of Function of SMAD2/3 in Cancer","Truncations of AMER1 destabilize the destruction complex","Centrosome maturation","MyD88 ca
scade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","L
oss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{301836-43-1,301836431,D4476,"CK1 Inhibitor","casein kinase I inhibitor","D 4476",D-4476,"Casein Kinase I Inhibitor, D4476",CHEMBL410456,C23H18N4O3,K00227,MLS006010815,SCHEMBL373737,"InSolution&trade;
 Casein Kinase I Inhibitor, D4476",GTPL5940,SCHEMBL22857113,T2449,"EMD 218696",SY-D4476,2902,218696}

> <pdid>
PD012959

> <targets>
{"Casein Kinase 1",CK1}

> <classes>
{}

> <pubchem_cids>
{6419753}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 31 35  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
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5497    4.4223    0.0000 N   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -0.2974    5.7184    0.0000 O   0  0
   -2.5451    7.0223    0.0000 C   0  0
   -1.7928    8.3210    0.0000 S   0  0
   -2.5406    9.6223    0.0000 C   0  0
   -4.0406    9.6224    0.0000 N   0  0
   -4.7906   10.9215    0.0000 C   0  0
   -4.0405   12.2205    0.0000 C   0  0
   -5.0434   13.3348    0.0000 S   0  0
   -6.4138   12.7248    0.0000 C   0  0
   -6.2570   11.2330    0.0000 C   0  0
   -2.5405   12.2204    0.0000 C   0  0
   -1.7905   13.5195    0.0000 O   0  0
   -1.7906   10.9214    0.0000 N   0  0
   -0.2898   10.9214    0.0000 C   0  0
    0.4623    9.6235    0.0000 C   0  0
    1.9623    9.6258    0.0000 C   0  0
    2.7103   10.9260    0.0000 C   0  0
    1.9583   12.2239    0.0000 C   0  0
    0.4583   12.2216    0.0000 C   0  0
   -0.3115    2.9665    0.0000 S   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  3
  7  2  1  0
  5  8  1  0
  8  9  2  3
  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  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 15  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
  9 31  1  0
 31  4  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21942

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
IWP-2

> <ctcr_id>
11675

> <supplier_cmpd_id>
T2702

> <smiles>
CC1=CC2=C(C=C1)N=C(NC(=O)CSC1=NC3=C(SCC3)C(=O)N1C1=CC=CC=C1)S2

> <pd_targets>
{CSNK1E,CSNK1D,PORCN}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CK1 protein kinase group","CK1 protein kinase CK1 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Membrane bound O-acyltransferases","CK1: Casein kinase 1","Casein kinase 1 (CK1) family"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Mitotic G2-G2/M phases","Signaling by WNT in cancer","G2/M Transition","LGK974 inhibit
s PORCN","Centrosome maturation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{WP,IWP-2,IWP2,686770-61-6,686770616,"IWP 2",CHEMBL1257064,"Wnt Inhibitor IWP-2","Wnt Inhibitor IWP2",F0579-0037,F05790037,SCHEMBL12571758,AOB2584,DTXSID50366724,CHEBI:125649,HMS3652J22,BCP09534,EX-A2
264,EXA2264,ZINC2719689,BDBM50428028,MFCD04457599,NSC753606,s7085,AKOS024457669,CCG-208106,CCG208106,CS-1578,CS1578,MCULE-71,MCULE71,T2702}

> <pdid>
PD010632

> <targets>
{Wnt}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{2155128}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
    5.2029   -2.9932    0.0000 O   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 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
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 S   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    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
    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   -1.4887    0.0000 C   0  0
   10.3985   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 C   0  0
    7.8004   -2.9887    0.0000 N   0  0
   11.6982   -3.7390    0.0000 C   0  0
   12.9985   -2.9911    0.0000 C   0  0
   14.2964   -3.7431    0.0000 C   0  0
   14.2940   -5.2431    0.0000 C   0  0
   12.9938   -5.9911    0.0000 C   0  0
   11.6959   -5.2391    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14  5  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
  2 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
 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21943

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
IWP-L6

> <ctcr_id>
7909

> <supplier_cmpd_id>
T2683

> <smiles>
O=C(CSC1=NC2=C(SCC2)C(=O)N1c3ccccc3)Nc4ccc(cn4)c5ccccc5

> <pd_targets>
{PORCN}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"porcupine inhibitor"}

> <synonyms>
{WPL,IWP-L6,IWPL6,1427782-89-5,1427782895,"IWP L6","Porcn Inhibitor III",CHEMBL2323231,C25H20N4O2S2,SCHEMBL16250224,AOB2791,EX-A754,EXA754,HMS3653I10,BCP08956,2487AH,BDBM50428008,s7301,ZINC95583412,AK
OS024458454,CCG-269466,CCG269466,SB19438,NCGC00379245-06,NCGC0037924506,AC-33056,AC33056,AS-55860,AS55860,DA-33457,DA33457,HY-,HY,T2683,S7301}

> <pdid>
PD010358

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71601111}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 25 27  0  0  0  0            999 V2000
    4.0363  -14.8198    0.0000 C   0  0
    4.7882  -13.5219    0.0000 O   0  0
    4.0405  -12.2205    0.0000 C   0  0
    2.5405  -12.2205    0.0000 C   0  0
    1.7905  -10.9214    0.0000 C   0  0
    2.5405   -9.6223    0.0000 C   0  0
    1.7928   -8.3210    0.0000 C   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5497   -4.4224    0.0000 N   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 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
    0.3114   -2.9665    0.0000 N   0  0
    4.0406   -9.6224    0.0000 C   0  0
    4.7905  -10.9215    0.0000 C   0  0
    6.2914  -10.9185    0.0000 O   0  0
    7.0396   -9.6184    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 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
 21 12  2  0
  6 22  1  0
 22 23  2  0
 23  3  1  0
 23 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21944

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
KY02111

> <ctcr_id>
1056

> <supplier_cmpd_id>
T2052

> <smiles>
COc1ccc(CCC(=O)Nc2sc3cc(Cl)ccc3n2)cc1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{DKK1}

> <broad_moa>
{"WNT pathway inhibitor"}

> <synonyms>
{KY02111,1118807-13-8,1118807138,"KY 02111",KY0211,"N-(6-chlorobenzo(d)thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide","N(6chlorobenzo(d)thiazol2yl)3(3,4dimethoxyphenyl)propanamide",KY-02111,"N-(6-c
hloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide","N(6chloro1,3benzothiazol2yl)3(3,4dimethoxyphenyl)propanamide",C18H17ClN2O3S,N-(6-Chloro-2-benzothiazolyl)-3,N(6Chloro2benzothiazolyl)3
,4-dimethoxyb,4dimethoxyb,T2052,S7096}

> <pdid>
PD010625

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{8582409}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 14 15  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 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
    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
    1.2954    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
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  4  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
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21945

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
Pirfenidone

> <ctcr_id>
5044

> <supplier_cmpd_id>
T2386

> <smiles>
CC1=CN(C(=O)C=C1)c2ccccc2

> <pd_targets>
{KDM4E,CYP1A2,HPGD,BLM,ALDH1A1,HSD17B10,SMAD3,TGFB1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Secreted protein",Eraser,"Cytochrome P450",Oxidoreductase,"Lysine demethylase","Cytochrome P450 family 1","Jumonji domain-containing","Cytochrome P450 family 1A","Cytoc
hrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","1.14.11.- Histone demethylases","CYP1 family","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Biosynt
hesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Branched-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",
"HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation",Xenobiotics,"Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Aromati
c amines can be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{FURIN,TNF}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{Tox21_110225_1,Tox211102251,Tox21-110225-1,"Tox21 110225 1",PIRFENIDONE,53179-13-8,53179138,5-methyl-1-phenylpyridin-2(1H)-one,5methyl1phenylpyridin2(1H)one,Esbriet,AMR-69,AMR69,Deskar,5-Methyl-1-phe
nyl-2-(1H)-pyridone,5Methyl1phenyl2(1H)pyridone,Pirfenidonum,Pirfenidona,Pirespa,"2(1H)-Pyridinone, 5-methyl-1-phenyl-","2(1H)Pyridinone, 5methyl1phenyl","AMR 69",5-methyl-1-phenyl-2(1H)-pyridinone,5m
ethyl1phenyl2(1H)pyridinone,5-Me,5Me,T2386,S2907,Pirfenidone}

> <pdid>
PD000334

> <targets>
{TGF-beta/Smad,CCR}

> <classes>
{TGF-beta/Smad,GPCR/G Protein,Immunology/Inflammation,Stem Cell/Wnt}

> <pubchem_cids>
{40632}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 24 27  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 N   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.3222   -3.0635    0.0000 C   0  0
    8.8147   -2.9143    0.0000 C   0  0
    9.6903   -4.1323    0.0000 C   0  0
    9.0732   -5.4995    0.0000 C   0  0
    7.5807   -5.6488    0.0000 C   0  0
    6.7052   -4.4308    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
   -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  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  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
  4 15  1  0
 15 16  2  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 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21946

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Tideglusib

> <ctcr_id>
2398

> <supplier_cmpd_id>
T3067

> <smiles>
O=C1SN(C(=O)N1Cc2ccccc2)c3cccc4ccccc34

> <pd_targets>
{GSK3B,REP}

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

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Anti-infective targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Glycogen synthase kinase (GSK) family","Corona
virus (CoV) proteins","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","SARS-CoV-2 Genome Replication and Transcription","R
eplication of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{GSK3B}

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

> <synonyms>
{Tideglusib(NP-031112),Tideglusib(NP031112),Tideglusib,865854-05-3,865854053,NP031112,NP-12,NP12,"4-Benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione","4Benzyl2(naphthalen1yl)1,2,4thiadiazoli
dine3,5dione",UNII-Q747Y6TT42,UNIIQ747Y6TT42,"NP 031112",NP-031112,Q747Y6TT42,"1,2,4-Thiadiazolidine-3,5-dione, 2-(1-naphthalenyl)-4-(phenylmethyl)-","1,2,4Thiadiazolidine3,5dione, 2(1naphthalenyl)4(p
henylmethyl)",T3067,S2823}

> <pdid>
PD012719

> <targets>
{GSK-3}

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

> <pubchem_cids>
{11313622}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21947

> <plate>
PLATE 001

> <well>
D10

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21948

> <plate>
PLATE 001

> <well>
D11

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 30 33  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 N   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0041    7.5017    0.0000 C   0  0
    1.2955    8.2523    0.0000 C   0  0
    2.5945    7.5021    0.0000 O   0  0
    1.2963    9.7531    0.0000 N   0  0
    2.5959   10.5038    0.0000 C   0  0
    2.5988   12.0038    0.0000 C   0  0
    3.8992   12.7514    0.0000 C   0  0
    5.1969   11.9989    0.0000 C   0  0
    5.1940   10.4989    0.0000 C   0  0
    3.8936    9.7514    0.0000 N   0  0
    6.4979   12.7469    0.0000 C   0  0
    6.5032   14.2469    0.0000 C   0  0
    7.8049   14.9924    0.0000 N   0  0
    9.1013   14.2379    0.0000 C   0  0
    9.0961   12.7380    0.0000 C   0  0
    7.7945   11.9925    0.0000 N   0  0
    1.2954    5.2529    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    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
  4  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  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
 19 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  2  0
 29  8  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21949

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
LGK-974

> <ctcr_id>
7896

> <supplier_cmpd_id>
T2618

> <smiles>
Cc1cc(ccn1)c2ncc(CC(=O)Nc3ccc(cn3)c4cnccn4)cc2C

> <pd_targets>
{WNT3A,PORCN}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","Signaling by RNF43 mutants","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"porcupine inhibitor"}

> <synonyms>
{ZINC95930187,AKOS025211913,1243244-14-5,1243244145,LGK-974,LGK974,WNT-974,WNT974,"LGK 974",UNII-U27F40013Q,UNIIU27F40013Q,CHEBI:78030,CHEMBL3188386,"LGK974 (WNT974)",U27F40013Q,MLS006011002,SCHEMBL17
23611,GTPL11167,HMS3653G11,BCP08495,EX-A1402,EXA1402,2140AH,BBL102809,BDBM501,T2618,S7143}

> <pdid>
PD010599

> <targets>
{Porcupine}

> <classes>
{Stem Cell/Wnt}

> <pubchem_cids>
{46926973}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21950

> <plate>
PLATE 001

> <well>
E3

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 27 28  0  0  0  0            999 V2000
    7.5987   -0.7984    0.0000 Cl  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
    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
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 N   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 N   0  0
   -1.6115   -3.9772    0.0000 C   0  0
   -0.1605   -3.6178    0.0000 C   0  0
    0.8791   -4.6991    0.0000 C   0  0
    0.4626   -6.1401    0.0000 C   0  0
   -0.9936   -6.4998    0.0000 C   0  0
   -2.0333   -5.4186    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -5.1020    3.4627    0.0000 C   0  0
   -5.5231    4.9024    0.0000 F   0  0
   -6.1382    2.3782    0.0000 C   0  0
   -5.7171    0.9385    0.0000 C   0  0
    5.0987   -0.7984    0.0000 Cl  0  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
 12 13  1  0
 13  9  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 14  1  0
 10 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
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21951

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
PF670462

> <ctcr_id>
11588

> <supplier_cmpd_id>
T3073

> <smiles>
Cl.Nc1nccc(n1)c1c(ncn1C1CCCCC1)c1ccc(F)cc1.Cl

> <pd_targets>
{CSNK1D,CSNK1E,EGFR,MAPK14,KCNH2,MAPK11,MAPK12,MAPK13}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CK1 protein kinase group","TK protein kinase group","CMGC protein kinase group","Voltage-gated potassium
 channel","CK1 protein kinase CK1 family","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","CK1: Casein kinase 1","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","P
otassium channels","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Receptor tyrosine kinases (RTKs)","p38 sub
family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System","Muscle contraction",Mitotic,"Signaling by GPCR","Innate Immune System","Cardiac conduction","Mitotic G2-G2/M phases","GPCR downstream signalling","
Toll-like Receptor Cascades","Phase 3 - rapid repolarisation","G2/M Transition","G alpha (q) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Centrosome maturation","Gastrin-CREB signalling p
athway via PKC and MAPK","MyD88 cascade initiated on plasma membrane","Loss of proteins required for interphase microtubule organization from the centrosome","EGFR Transactivation by Gastrin","MAP kin
ase activation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CSNK1D,CSNK1E}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{950912-80-8,950912808,PF-670462,PF670462,"PF 670462",UNII-D68ANS5I8B,UNIID68ANS5I8B,D68ANS5I8B,"PF-670462 HCl","PF670462 HCl","950912-80-8 (HCl)","950912808 (HCl)","PF670462 dihydrochloride",cc-367,c
c367,C19H20FN5.2ClH,C19H20FN5.2HCl,SCHEMBL18921552,CHEBI:87236,AOB3526,DTXSID50679609,BCP04305,EX-A2193,EXA2193,3966AH,T3073}

> <pdid>
PD070629

> <targets>
{CK1¦Å,Casein Kinase}

> <classes>
{Metabolism,Stem Cells,Cell Cycle/DNA Damage,Stem Cell/Wnt}

> <pubchem_cids>
{51049607}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 32 35  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    3.0008    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
   -0.0103    7.5017    0.0000 N   0  3
    1.2863    8.2560    0.0000 O   0  5
   -1.3116    8.2478    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
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8617   -2.2496    0.0000 C   0  0
   -5.1782    0.0303    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
    0.0000   -1.5000    0.0000 N   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 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    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
  8 11  1  0
 11 12  1  0
 11 13  2  0
  4 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 14  1  0
 21 22  2  0
 15 23  1  0
 23  2  1  0
  3 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  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
M  CHG  2  11   1  12  -1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21952

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
FLI-06

> <ctcr_id>
7870

> <supplier_cmpd_id>
T3075

> <smiles>
CC1=C(C(c2ccc(cc2)[N+]([O-])=O)C3=C(CC(C)(C)CC3=O)N1)C(=O)OC4CCCCC4

> <pd_targets>
{CCNA1,CCNA2,CDK2,APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,NOTCH1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Protease,"Protein Kinase","Aspartic protease","CMGC protein kinase group","Aspartic protease AD clan","CMGC protein kinase CDK family","Aspartic protease A22A sub
family","CMGC protein kinase CDC2 subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{"Other protein targets","Notch receptors"}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of glycosylation","Diseases associated with O-glycosylation of proteins","Defective LFNG causes SCDO3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FLI-06,FLI06,313967-18-9,313967189,"FLI 06",CHEMBL3604460,C25H30N2O5,Oprea1_143746,Oprea1143746,Oprea1-143746,"Oprea1 143746",Oprea1_499413,Oprea1499413,Oprea1-499413,"Oprea1 499413",SCHEMBL15536952,
AOB2707,EX-A294,EXA294,SYN5099,HMS3653A22,HMS3886B15,BCP09289,2412AH,BDBM50110176,MFCD00330996,s7399,STK368879,AKOS000650664,CCG-269112,CCG269112,MCULE-5112819342,MCULE5112819342,T3075,S7399}

> <pdid>
PD010323

> <targets>
{Gamma-secretase,Notch}

> <classes>
{Stem Cells & Wnt,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{3103157}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    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
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 N   0  0
   -2.6191   -7.4957    0.0000 C   0  0
   -3.9225   -8.2398    0.0000 C   0  0
   -5.2164   -7.4809    0.0000 C   0  0
   -6.5206   -8.2219    0.0000 C   0  0
   -6.5309   -9.7218    0.0000 C   0  0
   -5.2371  -10.4808    0.0000 C   0  0
   -3.9329   -9.7398    0.0000 C   0  0
   -2.6399  -10.5019    0.0000 N   0  0
   -2.6525  -12.0018    0.0000 C   0  0
   -1.3344   -9.7632    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0121   -6.0043    0.0000 C   0  0
    1.2908   -5.2609    0.0000 C   0  0
    2.5860   -6.0175    0.0000 C   0  0
    2.5785   -7.5175    0.0000 N   0  0
    1.2757   -8.2609    0.0000 C   0  0
   -0.0196   -7.5043    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  4  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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 15 26  1  0
 26 11  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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21953

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
GANT61

> <ctcr_id>
7448

> <supplier_cmpd_id>
T3070

> <smiles>
CN(C)c1ccccc1CN2CCCN(Cc3ccccc3N(C)C)C2c4ccncc4

> <pd_targets>
{CYP2D6,ALDH1A1,CYP3A4,SHH,GLI1,GLI2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cy
tochrome P450 2D6","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Biological oxidations","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Hedgehog","Pha
se I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Hh mutants abrogate ligand secretion","Hedgehog 'off' state","Cytochrome P450 - arranged by substrat
e type","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","HHAT G278V doesn't palmitoylate Hh-Np","Degradation of GLI1 by the proteasome",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions"
,"Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{GLI1,GLI2}

> <broad_moa>
{"GLI antagonist"}

> <synonyms>
{GANT61,500579-04-4,500579044,"GANT 61",GANT-61,GNT61,NSC136476,"NSC 136476","GANT 61(NSC 136476)",CHEMBL471728,C27H35N5,NSC-136476,NCIStruc1_001747,NCIStruc1001747,NCIStruc1-001747,"NCIStruc1 001747"
,NCIStruc2_001814,NCIStruc2001814,NCIStruc2-001814,"NCIStruc2 001814",SCHEMBL12831665,CHEBI:94276,DTXSID50329591,EX-A339,EXA339,CHEBI:140908,AMY39942,BCP08050,2423AH,B,T3070,3191,S8075}

> <pdid>
PD003546

> <targets>
{Hedgehog/Smoothened,Autophagy,Gli}

> <classes>
{Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{421610}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 31 36  0  0  0  0            999 V2000
   -1.9662    0.3862    0.0000 C   0  0
   -0.9831   -0.9304    0.0000 C   0  0
   -0.1756    0.0000    0.0000 C   0  0
   -0.1756    1.0358    0.0000 C   0  0
   -0.9831    1.7204    0.0000 C   0  0
    0.5442    1.2289    0.0000 C   0  0
    0.5442   -0.4038    0.0000 C   0  0
    2.0715   -0.9304    0.0000 C   0  0
    2.5129   -2.3640    0.0000 O   0  0
    3.0546    0.3862    0.0000 N   0  0
    2.0715    1.7204    0.0000 C   0  0
    2.5322    3.1479    0.0000 O   0  0
    4.5553    0.3815    0.0000 C   0  0
    5.4172    1.6021    0.0000 C   0  0
    6.9109    1.4648    0.0000 C   0  0
    7.5388    0.1025    0.0000 C   0  0
    6.6730   -1.1224    0.0000 C   0  0
    5.1793   -0.9851    0.0000 C   0  0
    9.0331   -0.0380    0.0000 C   0  0
    9.9010    1.1854    0.0000 O   0  0
    9.6594   -1.4019    0.0000 N   0  0
   11.1536   -1.5424    0.0000 C   0  0
   12.0195   -0.3175    0.0000 C   0  0
   13.5132   -0.4549    0.0000 C   0  0
   14.1411   -1.8172    0.0000 C   0  0
   13.2752   -3.0421    0.0000 C   0  0
   11.7816   -2.9047    0.0000 C   0  0
   10.9157   -4.1296    0.0000 N   0  0
   11.5436   -5.4918    0.0000 C   0  0
   13.0373   -5.6292    0.0000 C   0  0
   13.9031   -4.4043    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  1  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  1  0
 11  6  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 22  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21954

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
IWR-1-endo

> <ctcr_id>
476

> <supplier_cmpd_id>
T2651

> <smiles>
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6

> <pd_targets>
{TNKS,PARP2,TNKS2,PARP1,WNT3}

> <pathway_gtopdb>
{Enzyme,Transferase,"Secreted protein"}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"Signal Transduction","DNA Repair",Disease,"Intracellular signaling by second messengers","Base Excision Repair","Infectious disease","PIP3 activates AKT signaling","Resolution of Abasic Sites (AP si
tes)","Influenza Infection","PTEN Regulation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Influenza Viral RNA Transcription and Replication","Regulation of PTEN sta
bility and activity","POLB-Dependent Long Patch Base Excision Repair","vRNA Synthesis","Signaling by GPCR","GPCR ligand binding","Class B/2 (Secretin family receptors)"}

> <broad_targets>
{TNKS}

> <broad_moa>
{"WNT signaling inhibitor negative control"}

> <synonyms>
{IWR-1-endo,IWR1endo,IWR-1,IWR1,1127442-82-3,1127442823,"exo-IWR 1","exoIWR 1","IWR 1-exo","IWR 1exo","endo-IWR 1;IWR-1-endo","endoIWR 1;IWR1endo",IWR1-endo,ChemDiv1_005302,ChemDiv1005302,ChemDiv1-005
302,"ChemDiv1 005302",Oprea1_037138,Oprea1037138,Oprea1-037138,"Oprea1 037138",Oprea1_443063,Oprea1443063,Oprea1-443063,"Oprea1 443063",SCHEMBL12549749,HMS602A22,AKOS026750583,MCULE-3071241001,MCULE30
71241001,AS-56164,AS56164,DA-34780,DA34780,EU-0039994,EU0039994,FT-0670579,FT0670579,FT-0670580,FT0670580,SR-010004,SR010004,T2651,S7086}

> <pdid>
PD012999

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{3137736}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21955

> <plate>
PLATE 001

> <well>
E8

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 24 27  0  0  0  0            999 V2000
    2.5721  -10.4982    0.0000 N   0  0
    3.8746   -9.7541    0.0000 C   0  0
    3.8824   -8.2533    0.0000 C   0  0
    5.1838   -7.5075    0.0000 C   0  0
    5.1886   -6.0075    0.0000 C   0  0
    3.8919   -5.2532    0.0000 N   0  0
    2.5905   -5.9992    0.0000 C   0  0
    2.5858   -7.4992    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   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 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
    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
    0.0000   -1.5000    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
  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  2  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 17  1  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21956

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
WAY-262611

> <ctcr_id>
11676

> <supplier_cmpd_id>
T1971

> <smiles>
NCC1CCN(CC1)c1nccc(n1)c1cc2ccccc2cc1

> <pd_targets>
{DKK1}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","Signaling by LRP5 mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AY26261,WAY-262611,WAY262611,1123231-07-1,1123231071,MAY-262611,MAY262611,(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine,(1(4(naphthalen2yl)pyrimidin2yl)piperidin4yl)methanamine,CHE
MBL570667,(1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl)methanamine,(1(4naphthalen2ylpyrimidin2yl)piperidin4yl)methanamine,(1-(4-(2-naphthalenyl)-2-pyrimidinyl)-4-piperidinyl)methanamine,(1(4(2na
phthalenyl)2pyrimidinyl)4piperidinyl)methanamine,C20H,T1971}

> <pdid>
PD013033

> <targets>
{Wnt/¦Â-catenin}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{25199517}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 35 38  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 N   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 O   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
   -0.0103    7.5017    0.0000 N   0  0
   -1.3123    8.2482    0.0000 C   0  0
   -2.6088    7.4938    0.0000 O   0  0
   -1.3178    9.7490    0.0000 C   0  0
   -0.0199   10.5012    0.0000 C   0  0
   -0.0223   12.0012    0.0000 C   0  0
   -1.3226   12.7491    0.0000 C   0  0
   -2.6204   11.9970    0.0000 C   0  0
   -2.6180   10.4970    0.0000 C   0  0
   -3.9158    9.7449    0.0000 C   0  0
   -3.9213   12.7452    0.0000 C   0  0
   -3.9262   14.2453    0.0000 C   0  0
   -5.2277   14.9911    0.0000 C   0  0
   -6.5243   14.2370    0.0000 C   0  0
   -7.8280   14.9805    0.0000 O   0  0
   -9.1242   14.2241    0.0000 C   0  0
  -10.4272   14.9673    0.0000 F   0  0
   -9.1168   12.7241    0.0000 F   0  0
  -10.4194   13.4675    0.0000 F   0  0
   -6.5195   12.7370    0.0000 C   0  0
   -5.2180   11.9911    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    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  7  1  0
  6  8  1  0
  8  2  1  0
  4  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
 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
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 26 32  1  0
 32 33  2  0
 33 23  1  0
 12 34  1  0
 34 35  2  0
 35  9  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21957

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
Sonidegib

> <ctcr_id>
4291

> <supplier_cmpd_id>
T1926

> <smiles>
CC1CN(CC(C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2

> <pd_targets>
{SMO,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Cargo trafficking to the periciliary membrane","Hh
 mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor antagonist"}

> <synonyms>
{"Sonidegib;LDE225; NVP-LDE 225","Sonidegib;LDE225; NVPLDE 225",SCHEMBL555313,CHEMBL2141738,HMS3655F04,AKOS026750268,NCGC00387854-03,NCGC0038785403,AK198959,FT-0667957,FT0667957,A25438,T1926,S2151,Son
idegib,"LDE225 (NVP-LDE225, Erismodegib)","LDE225 (NVP-LDE225,Erismodegib)"}

> <pdid>
PD003504

> <targets>
{Hedgehog/Smoothened}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{53396339}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21958

> <plate>
PLATE 001

> <well>
E11

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 21 23  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 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 S   0  0
    0.0000   -3.0000    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
    1.2954    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
   -0.0072    7.5017    0.0000 C   0  0
    1.2902    8.2546    0.0000 F   0  0
   -1.3076    8.2492    0.0000 F   0  0
   -0.0103    9.0017    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  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  2  0
  4 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
 18 20  1  0
 18 21  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21959

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
XAV939

> <ctcr_id>
1039

> <supplier_cmpd_id>
T1878

> <smiles>
Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F

> <pd_targets>
{PARP2,TNKS,TNKS2,PARP1,PARP14,PARP3,PARP4,WNT3A,AXIN2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction",Disease,"Base Excision Repair","Intracellular signaling by second messengers","Infectious disease","Diseases of signal transduction by growth factor receptors and s
econd messengers","Signaling by WNT","Resolution of Abasic Sites (AP sites)","PIP3 activates AKT signaling","Influenza Infection","SARS-CoV Infections","Signaling by WNT in cancer","TCF dependent sign
aling in response to WNT","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","S
ignaling by RNF43 mutants","Formation of the beta-catenin:TCF transactivating complex","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","vRNA Synthesis","Tr
anslation of structural proteins","Binding of TCF/LEF:CTNNB1 to target gene promoters","Maturation of nucleoprotein"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{XAV939,XAV_939,"XAV 939",S1180,XAV-939}

> <pdid>
PD011102

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{2726824}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21960

> <plate>
PLATE 001

> <well>
F3

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 31 36  0  0  1  0            999 V2000
    3.8805   -1.4410    0.0000 O   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
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  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  1  0  0  0
    0.3114   -2.9665    0.0000 C   0  0  2  0  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 C   0  0
    2.1419   -7.0762    0.0000 C   0  0
    3.6337   -7.2330    0.0000 C   0  0  2  0  0  0
    4.5154   -6.0194    0.0000 C   0  0
    3.9053   -4.6491    0.0000 C   0  0
    2.4135   -4.4923    0.0000 C   0  0  1  0  0  0
    3.2949   -3.2786    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0  1  0  0  0
    4.2438   -8.6033    0.0000 O   0  0
   -0.5753    2.9306    0.0000 O   0  0
    0.5394    3.9343    0.0000 C   0  0  2  0  0  0
    0.5387    5.4332    0.0000 C   0  0
    1.8378    6.1832    0.0000 C   0  0  1  0  0  0
    3.1368    5.4332    0.0000 C   0  0
    3.1368    3.9332    0.0000 N   0  0
    1.8384    3.1843    0.0000 C   0  0  1  0  0  0
    1.5266    1.7170    0.0000 C   0  0  1  0  0  0
    2.5504    0.6208    0.0000 C   0  0
    1.8378    7.6832    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  6  4  1  6
  6  7  1  0
  7  8  1  0
  9  8  1  6
  9  3  1  0
  9 10  1  0
 10 11  1  1
 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  1  0
 18 13  1  0
 18 19  1  6
 18 20  1  0
 20  2  1  6
 20 10  1  0
 15 21  1  6
  6 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 28 27  1  1
 28 23  1  0
 28 29  1  0
 29  6  1  0
 29 30  1  1
 25 31  1  6
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21961

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Jervine

> <ctcr_id>
11677

> <supplier_cmpd_id>
T3363

> <smiles>
O=C1C2=C(C)[C@]3(CC[C@H]2[C@@H]2CC=C4C[C@H](CC[C@]4(C)[C@@H]12)O)O[C@@H]1C[C@@H](CN[C@H]1[C@H]3C)C

> <pd_targets>
{ERG2,SHH}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Isomerase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Hh mutants abrogate ligand secretion","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{JERVINE,469-59-0,469590,Iervin,11-Ketocyclopamine,11Ketocyclopamine,UNII-19V3ECX465,UNII19V3ECX465,C27H39NO3,"Jerwiny (Polish)",CHEBI:6088,CHEMBL186779,19V3ECX465,NSC23898,MFCD01684066,"HSDB 3502",Je
rwiny,NSC7520,"NSC 7520","EINECS 207-417-9","EINECS 2074179","BRN 0059109",NSC-7520,Veratraman-11-one,Veratraman11one,23,T3363,Jervine}

> <pdid>
PD011937

> <targets>
{Hedgehog,Smoothened,Smo}

> <classes>
{GPCR/G Protein,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{10098}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
    2.2480   -8.7524    0.0000 C   0  0
    3.1336   -7.5417    0.0000 N   0  0
    2.6748   -6.1136    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1011   -6.1214    0.0000 C   0  0
    4.6328   -7.5465    0.0000 C   0  0
    5.6328   -8.6645    0.0000 N   0  0
    7.1011   -8.3575    0.0000 C   0  0
    7.5693   -6.9325    0.0000 C   0  0
    6.5693   -5.8144    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
    3.8976   -0.7553    0.0000 O   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 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 C   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0031    0.0000 C   0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0031    0.0000 C   0  0
    1.2519   -5.6367    0.0000 C   0  0
    0.8402   -4.1997    0.0000 C   0  0
   -0.6154   -3.8375    0.0000 C   0  0
   -1.6570   -4.9169    0.0000 C   0  0
   -1.2429   -6.3586    0.0000 C   0  0
    0.2127   -6.7209    0.0000 C   0  0
   10.0693   -2.8746    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
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  4 11  1  0
 11 12  2  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  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 15  1  0
 21 25  1  0
 25 26  1  0
 20 27  1  0
 27 28  1  0
  3 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
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21962

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
SIS3

> <ctcr_id>
11678

> <supplier_cmpd_id>
T3636

> <smiles>
Cn1c(c(c2c1nccc2)/C=C/C(=O)N1CCc2cc(c(cc2C1)OC)OC)c1ccccc1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{SMAD3,TGFBR1}

> <broad_moa>
{"serine/threonine kinase inhibitor"}

> <synonyms>
{SIS3,521984-48-5,521984485,"Sis3 HCl",MFCD09265258,"SIS3 hydrochloride",SIS-3,"Specific Inhibitor of Smad3",Caneritinib,SIS3(HCl),SCHEMBL6488320,SCHEMBL6488325,CANERITINIB(CI-1033),CANERITINIB(CI1033
),CHEBI:87461,AOB5022,BCP19304,EX-A1151,EXA1151,s7959,AKOS025147342,">=98 (HPLC)",p,T3636}

> <pdid>
PD018222

> <targets>
{Smad3}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{16079005}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 33 35  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 N   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.6197    2.6975    0.0000 C   0  0
   13.0828    2.3667    0.0000 F   0  0
   11.1751    4.1301    0.0000 F   0  0
   12.6379    3.7990    0.0000 F   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0030    3.2314    0.0000 C   0  0
    1.3039    3.9799    0.0000 C   0  0
    1.3069    5.4799    0.0000 O   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 N   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   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
  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  1  0
  8 10  1  0
  8 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 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
 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 15  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21963

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Crenigacestat

> <ctcr_id>
6188

> <supplier_cmpd_id>
T3633

> <smiles>
CC(NC(=O)CCC(F)(F)F)C(=O)NC1C(=O)N(CCO)c2ncccc2c3ccccc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"notch signaling inhibitor"}

> <synonyms>
{SCHEMBL22694921,AK171364,FT-0699353,FT0699353,T3633,S7169,Crenigacestat,LY3039478}

> <pdid>
PD056674

> <targets>
{Gamma-secretase,Notch,³-secretase}

> <classes>
{Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{78044267}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 27 29  0  0  0  0            999 V2000
   11.6905    0.7825    0.0000 C   0  0
   10.3875    1.5257    0.0000 C   0  0
   10.3802    3.0257    0.0000 O   0  0
    9.0919    0.7681    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   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
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6015   -2.9986    0.0000 C   0  0
    3.9027   -3.7449    0.0000 N   0  0
    3.9070   -5.2449    0.0000 C   0  0
    2.6101   -5.9986    0.0000 C   0  0
    1.3089   -5.2523    0.0000 C   0  0
    0.0120   -6.0060    0.0000 C   0  0
   -1.2892   -5.2597    0.0000 C   0  0
   -1.2934   -3.7597    0.0000 C   0  0
    0.0035   -3.0060    0.0000 C   0  0
    1.3046   -3.7523    0.0000 C   0  0
    5.1857   -4.4608    0.0000 C   0  0
    3.8760   -6.7445    0.0000 C   0  0
    1.3013   -0.7461    0.0000 C   0  0
    1.3018    0.7539    0.0000 O   0  0
    0.0018   -1.4953    0.0000 N   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  2  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 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 13  1  0
 22 17  1  0
 15 23  1  0
 15 24  1  0
 12 25  1  0
 25 26  2  0
 25 27  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21964

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
IQ-1

> <ctcr_id>
11679

> <supplier_cmpd_id>
T3635

> <smiles>
CC(=O)c1ccc(cc1)N/N=C(\C1=NC(Cc2ccccc12)(C)C)/C(=O)N

> <pd_targets>
{RORC,SMN1,MAPT,HTT,LMNA,MAPK1,DYRK1A}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Other nuclear protein",Enzyme,"Nuclear receptor",Reader,Kinase,"Nuclear hormone receptor subfamily 1","
Methyl-lysine/arginine binding protein","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Tudor domain","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F member 
3","CMGC protein kinase MAPK family","CMGC protein kinase DYRK family","CMGC protein kinase ERK1","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"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 kinase
s)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","ERK subfamily","Dyrk1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of RNA","Neuronal System","Cell Cycle","Immune System","RNA Polymerase II Transcription","Metabolism of non-coding RNA","Transmission across Chemical Syn
apses",Mitotic,"Innate Immune System","Generic Transcription Pathway","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Toll-like Receptor Cascades","Mitoti
c G1 phase and G1/S transition","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","Tol
l Like Receptor 5 (TLR5) Cascade","G0 and Early G1","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Regulation of MECP2 expression and activity","Mitotic A
naphase","MyD88 cascade initiated on plasma membrane","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformat
ion","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q,IQ-1,IQ1,331001-62-8,331001628,CHEBI:125561,CCG-208080,CCG208080,AC-33055,AC33055,BS-16587,BS16587,T3635}

> <pdid>
PD056676

> <targets>
{Wnt}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{5721207}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 27 29  0  0  0  0            999 V2000
    7.7906   -3.0071    0.0000 N   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    5.1924   -6.0070    0.0000 C   0  0
    5.1924   -7.5078    0.0000 C   0  0
    6.4902   -8.2600    0.0000 C   0  0
    6.4878   -9.7600    0.0000 C   0  0
    5.1875  -10.5079    0.0000 C   0  0
    3.8897   -9.7558    0.0000 C   0  0
    2.5872  -10.5015    0.0000 O   0  0
    1.2904   -9.7475    0.0000 C   0  0
    3.8921   -8.2558    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   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
    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
   -2.7248    1.2135    0.0000 O   0  0
   -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
    0.0000   -1.5000    0.0000 C   0  0
    5.1925   -3.0070    0.0000 N   0  0
   10.2912   -4.5040    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  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  5  1  0
  4 13  2  0
 13 14  1  0
 14 15  1  0
 15 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  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  0
 25 17  1  0
 14 26  2  0
 26  2  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21965

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
Wnt agonist 1

> <ctcr_id>
11680

> <supplier_cmpd_id>
T3144

> <smiles>
Nc1nc(c2cccc(OC)c2)cc(NCc2ccc3OCOc3c2)n1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"WNT agonist"}

> <synonyms>
{"Wnt agonist 1","AMBMP hydrochloride",2095432-75-8,2095432758,"BML-284 (hydrochloride)","BML284 (hydrochloride)","BML-284 HCl","BML284 HCl","BML 284",AMBMPHydrochloride,SCHEMBL19668265,853220-52-7(fr
ee-base),853220527(freebase),HY-19987A,HY19987A,s8178,AKOS030210984,CCG-268487,CCG268487,AK685828,BS-16568,BS16568,"CID 11210285",CS-0063,CS0063,T3144}

> <pdid>
PD015736

> <targets>
{Wnt}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{122705993}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 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_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21966

> <plate>
PLATE 001

> <well>
F9

> <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_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 N   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    9.1366    1.9269    0.0000 C   0  0
    8.6920    3.3595    0.0000 O   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.6208    2.6954    0.0000 C   0  0
   13.0832    2.3617    0.0000 C   0  0
   14.1034    3.4613    0.0000 F   0  0
   13.5253    0.9283    0.0000 C   0  0
   12.5051   -0.1713    0.0000 C   0  0
   12.9472   -1.6046    0.0000 F   0  0
   11.0427    0.1625    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   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
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  8  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 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
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 19  1  0
 35 30  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21967

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
LY411575

> <ctcr_id>
5250

> <supplier_cmpd_id>
T6063

> <smiles>
CC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)NC2C(=O)N(C)c3ccccc3c4ccccc24

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,SPPL2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel",Hydrolase,"Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22
A subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Nervous system development","Death Receptor Signalling","Axon guidance","TNF signaling","EPH-Ephrin signaling","Regulation of TNFR1 signaling","EPH-ephr
in mediated repulsion of cells"}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{"LY-411575 isomer 1","LY411575 isomer 1",1103722-91-3,1103722913,SCHEMBL20495533,HMS3656B17,HMS3743M13,AK473865,DA-33418,DA33418,FT-0772846,FT0772846,1103516-01-3,1103516013,T6063,S2714,LY411575}

> <pdid>
PD010875

> <targets>
{Gamma-secretase}

> <classes>
{Proteases}

> <pubchem_cids>
{10205993}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 24 26  0  0  0  0            999 V2000
    7.7905   -6.0071    0.0000 Cl  0  0
    6.4915   -5.2571    0.0000 C   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 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 C   0  0
    3.8983   -0.7549    0.0000 C   0  0
    5.1987   -0.0072    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 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 N   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5944   -6.0070    0.0000 Cl  0  0
    5.1924   -6.0070    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
  6  8  1  0
  8  9  1  0
  9 10  3  0
  8 11  2  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  1  0
  5 22  1  0
 22 23  1  0
 22 24  2  0
 24  2  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21968

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
Ciliobrevin A

> <ctcr_id>
11681

> <supplier_cmpd_id>
T3156

> <smiles>
Clc1ccc(C(=O)C(\C#N)=C2\NC(=O)c3ccccc3N2)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ciliobrevin A",HPI-4,HPI4,302803-72-1,302803721,CiliobrevinA,"Ciliobrevin A(HPI4)",BCP18834,ZINC5706303,ZINC100434768,AK685752,T3156}

> <pdid>
PD041022

> <targets>
{Hedgehog}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{135486395}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 34 37  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 N   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.6208    2.6954    0.0000 C   0  0
   13.0832    2.3617    0.0000 C   0  0
   14.1034    3.4613    0.0000 F   0  0
   13.5253    0.9283    0.0000 C   0  0
   12.5051   -0.1713    0.0000 C   0  0
   12.9472   -1.6046    0.0000 F   0  0
   11.0427    0.1625    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   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
  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  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  7  1  0
  2 15  1  0
 15 16  2  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  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  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 18  1  0
 34 29  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21969

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Dibenzazepine

> <ctcr_id>
6205

> <supplier_cmpd_id>
T6135

> <smiles>
CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC2C(=O)N(C)c3ccccc3c4ccccc24

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,Protease,"Aspartic protease","Aspartic protease AD clan","Aspartic protease A22A subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{O0102,"gamma-Secretase Inhibitor XX","gammaSecretase Inhibitor XX",CHEMBL2130730,SCHEMBL18425107,HMS3656N15,NCGC00389645-02,NCGC0038964502,AK101890,DB-066402,DB066402,FT-0666470,FT0666470,T6135,S2711
,Dibenzazepine,YO-01027}

> <pdid>
PD010877

> <targets>
{Gamma-secretase}

> <classes>
{Proteases}

> <pubchem_cids>
{10115684}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 28 29  0  0  0  0            999 V2000
   16.8531   -1.9300    0.0000 K   0  3
    6.8386   -4.4700    0.0000 S   0  0
    8.0476   -5.3578    0.0000 C   0  0
    8.0400   -6.8578    0.0000 S   0  0
    9.2656   -4.4823    0.0000 N   0  0
    8.8094   -3.0534    0.0000 C   0  0
    9.6900   -1.8391    0.0000 O   0  0
    7.3221   -3.0635    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    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
   -2.6003    1.4977    0.0000 N   0  3
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  5
   10.6892   -4.9496    0.0000 C   0  0
   11.8081   -3.9494    0.0000 C   0  0
   13.2341   -4.4174    0.0000 C   0  0
   14.3525   -3.4178    0.0000 O   0  0
   13.5411   -5.8857    0.0000 O   0  5
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  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 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
 18 21  1  0
 21 22  2  0
 21 23  1  0
  5 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  CHG  4   1   1  21   1  23  -1  28  -1
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21970

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
KYA1797K

> <ctcr_id>
11682

> <supplier_cmpd_id>
T6868

> <smiles>
[K+].S1C(=S)N(C(=O)/C/1=C/c1oc(cc1)c1ccc(cc1)[N+](=O)[O-])CCC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KYA1797K,1956356-56-1,1956356561,"KYA 1797K",EX-A2498,EXA2498,s8327,"KYA1797K potassium salt, >=98 (HPLC)",A16353,T6868}

> <pdid>

> <targets>
{Wnt/¦Â-catenin,Wnt,²-catenin}

> <classes>
{Cytoskeletal Signaling,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{119057297}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 23 24  0  0  0  0            999 V2000
    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 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
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 S   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
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  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
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
  6 19  1  0
 19 20  1  0
  1 21  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21971

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
IMR-1

> <ctcr_id>
11683

> <supplier_cmpd_id>
T6861

> <smiles>
C(=O)(COc1c(cc(cc1)/C=C/1\SC(=S)NC1=O)OC)OCC

> <pd_targets>
{NOTCH1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Notch receptors"}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of glycosylation","Diseases associated with O-glycosylation of proteins","Defective LFNG causes SCDO3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MR,310456-65-6,310456656,SCHEMBL18102845,HMS3886L08,s8280,STK751326,ZINC12413404,AKOS000613190,CCG-268066,CCG268066,MCULE-5880004299,MCULE5880004299,AB00084071-01,AB0008407101,AB00084071-02,AB0008407
102,T6861,IMR-1}

> <pdid>
PD071577

> <targets>
{Notch}

> <classes>
{Neuroscience,Proteases/Proteasome,"Stem Cells"}

> <pubchem_cids>
{1246061}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    6.4445  -10.8846    0.0000 C   0  0
    6.4131   -9.3849    0.0000 C   0  0
    7.6964   -8.6067    0.0000 O   0  0
    7.6650   -7.1062    0.0000 C   0  0
    8.9465   -6.3266    0.0000 C   0  0
    8.9121   -4.8270    0.0000 C   0  0
    7.5962   -4.1069    0.0000 C   0  0
    7.5587   -2.6065    0.0000 N   0  0
    6.2433   -1.8892    0.0000 C   0  0
    6.0471   -0.4021    0.0000 S   0  0
    4.5721   -0.1292    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.8896   -2.5354    0.0000 N   0  0
    2.4133   -1.7530    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 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
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    6.3147   -4.8866    0.0000 C   0  0
    6.3491   -6.3862    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  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
 12 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 15  1  0
 20 21  2  0
 21 22  1  0
 22 14  2  0
 22 23  1  0
  7 24  1  0
 24 25  2  0
 25  4  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21972

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
JK184

> <ctcr_id>
7605

> <supplier_cmpd_id>
T3588

> <smiles>
CCOc1ccc(Nc2scc(n2)c3n4ccccc4nc3C)cc1

> <pd_targets>
{SHH}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Hh mutants abrogate ligand secretion","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{}

> <broad_moa>
{"hedgehog pathway inhibitor"}

> <synonyms>
{315703-52-7,315703527,JK184,"JK 184","N-(4-ethoxyphenyl)-4-(2-methylimidazo(1,2-a)pyridin-3-yl)thiazol-2-amine","N(4ethoxyphenyl)4(2methylimidazo(1,2a)pyridin3yl)thiazol2amine",JK-184,C19H18N4OS,CHEM
BL514622,"N-(4-ethoxyphenyl)-4-(2-methylimidazo(1,2-a)pyridin-3-yl)-2-thiazolamine","N(4ethoxyphenyl)4(2methylimidazo(1,2a)pyridin3yl)2thiazolamine",N-(4-Ethoxyphenyl)-4-(2-methylimidazo,N(4Ethoxyphen
yl)4(2methylimidazo,T3588,nan}

> <pdid>
PD015738

> <targets>
{""}

> <classes>
{}

> <pubchem_cids>
{1069686}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 21 22  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   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
   -1.2990    0.7500    0.0000 C   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 S   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
   -1.2990   -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  2  0
  2  3  1  0
  2  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 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 19  6  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21973

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
IMR-1A

> <ctcr_id>
11684

> <supplier_cmpd_id>
T3540

> <smiles>
O=C(O)COc1ccc(/C=C/2\SC(=S)NC2=O)cc1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MR1,IMR-1A,IMR1A,331862-41-0,331862410,SCHEMBL12892139,ZINC1194784,STK177599,STL559471,AKOS000288029,BIM-0027091.P001,BIM0027091.P001,T3540}

> <pdid>
PD065058

> <targets>
{Notch}

> <classes>
{Neuroscience,Proteases/Proteasome,"Stem Cells"}

> <pubchem_cids>
{1354723}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 26 27  0  0  1  0            999 V2000
   11.6192    2.6969    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.0451    0.1633    0.0000 C   0  0
    9.1366    1.9269    0.0000 C   0  0  2  0  0  0
    8.6920    3.3595    0.0000 O   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    6.6534    1.1562    0.0000 N   0  0
    5.6342    0.0546    0.0000 C   0  0  1  0  0  0
    6.0788   -1.3780    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0  2  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    0.0000 C   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 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
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 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 14  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21974

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
Semagacestat

> <ctcr_id>
7153

> <supplier_cmpd_id>
T6125

> <smiles>
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc12

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel","Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{PSEN1}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{Semagacestat,425386-60-3,425386603,LY450139,"Semagacestat (LY450139)",LY-450139,"LY 450139",UNII-3YN0602W4W,UNII3YN0602W4W,866488-53-1,866488531,3YN0602W4W,"Semagacestat (USAN:INN)",PubChem20549,"Sem
agacestat (USAN/INN)","Semagacestat; LY450139",cc-411,cc411,MLS00601018,T6125,S1594,semagacestat}

> <pdid>
PD003375

> <targets>
{Gamma-secretase,Amyloid-²,Notch,³-secretase}

> <classes>
{Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{9843750}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 32 35  0  0  0  0            999 V2000
    9.3995    2.9303    0.0000 C   0  0
   10.2430    1.6899    0.0000 O   0  0
   10.0528    4.2815    0.0000 C   0  0
   11.5486    4.3944    0.0000 C   0  0
   12.1987    5.7462    0.0000 C   0  0
   11.3531    6.9851    0.0000 C   0  0
    9.8574    6.8723    0.0000 C   0  0
    9.2072    5.5205    0.0000 C   0  0
    9.0088    8.1102    0.0000 O   0  0
    7.5132    7.9952    0.0000 C   0  0
   13.6951    5.8622    0.0000 O   0  0
   14.3433    7.2149    0.0000 C   0  0
    7.9028    2.8195    0.0000 N   0  0
    7.2495    1.4683    0.0000 C   0  0
    5.7538    1.3554    0.0000 C   0  0
    5.1072    0.0000    0.0000 C   0  0
    5.9493   -1.2353    0.0000 C   0  0
    7.4450   -1.1224    0.0000 C   0  0
    8.0952    0.2294    0.0000 C   0  0
    5.2988   -2.5869    0.0000 Cl  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
   -2.6003    1.4977    0.0000 N   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
  1  2  2  0
  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
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  1  0
  1 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
 17 20  1  0
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 23  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21975

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
HhAntag

> <ctcr_id>
11685

> <supplier_cmpd_id>
T3460

> <smiles>
C(=O)(c1cc(cc(c1)OC)OC)Nc1cc(c(cc1)Cl)c1nc2c([nH]1)cc(cc2)N(C)C

> <pd_targets>
{SHH,SMO}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{Disease,"Organelle biogenesis and maintenance","Diseases of signal transduction by growth factor receptors and second messengers","Cilium Assembly","Hh mutants abrogate ligand secretion","Cargo traff
icking to the periciliary membrane","HHAT G278V doesn't palmitoylate Hh-Np","BBSome-mediated cargo-targeting to cilium"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HhAntag,496794-70-8,496794708,"GLI1-mediated transcription inhibitor","GLI1mediated transcription inhibitor",CHEMBL516246,SCHEMBL2157955,DTXSID90432730,EX-A812,EXA812,HMS3741M07,BCP21219,BDBM50249520
,MFCD27918645,ZINC40917821,AKOS032961100,CS-1233,CS1233,NCGC00378698-01,NCGC0037869801,HY-15412,HY15412,J3.506.077D,A12418,W-6093,W6093,Hh-,Hh,T3460}

> <pdid>
PD012585

> <targets>
{Gli}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{9911630}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 21 23  0  0  0  0            999 V2000
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -2.6408    0.8580    0.0000 C   0  0
   -3.1909    2.2347    0.0000 C   0  0
   -4.6863    2.1174    0.0000 C   0  0
   -5.0368    0.6589    0.0000 N   0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.6614    3.2549    0.0000 C   0  0
   -5.1628    4.6696    0.0000 O   0  0
   -7.1368    2.9796    0.0000 N   0  0
   -8.1136    4.1190    0.0000 C   0  0
   -9.5889    3.8437    0.0000 C   0  0
  -10.5657    4.9832    0.0000 C   0  0
  -12.0411    4.7079    0.0000 N   0  0
  -13.1110    5.7409    0.0000 C   0  0
  -14.4269    5.0209    0.0000 C   0  0
  -14.1488    3.5469    0.0000 N   0  0
  -12.6610    3.3559    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  8 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 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21976

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
SKL2001

> <ctcr_id>
11686

> <supplier_cmpd_id>
T6989

> <smiles>
c1coc(c1)c1cc(no1)C(=O)NCCCn1ccnc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SKL2001,909089-13-0,909089130,"SKL 2001","SKL2001 free base","5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide","5(furan2yl)N(3imidazol1ylpropyl)1,2oxazole3carboxamide",SKL-2001,N-(
3-(1H-imidazol-1-yl)propyl)-5-(furan-2-yl)isoxazole-3-carboxamide,N(3(1Himidazol1yl)propyl)5(furan2yl)isoxazole3carboxamide,"Wnt Agonist II",SCHEMBL1178443,BCP19782,EX-A1997,EXA1997,T6989}

> <pdid>
PD016449

> <targets>
{Wnt/¦Â-catenin,Wnt,²-catenin}

> <classes>
{Cytoskeletal Signaling,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{16003447}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 35 40  0  0  0  0            999 V2000
   -0.7020   -9.7456    0.0000 F   0  0
   -0.1642   -8.3453    0.0000 C   0  0
   -1.1077   -7.1781    0.0000 C   0  0
   -2.0941   -8.3082    0.0000 C   0  0
   -3.5659   -8.0189    0.0000 C   0  0
   -4.0514   -6.5996    0.0000 C   0  0
   -3.0649   -5.4696    0.0000 C   0  0
   -1.5923   -5.7638    0.0000 C   0  0
   -0.6933   -4.5622    0.0000 C   0  0
    0.8066   -4.5832    0.0000 N   0  0
    1.2900   -3.1632    0.0000 N   0  0
    0.0887   -2.2866    0.0000 C   0  0
   -0.4048   -0.8693    0.0000 C   0  0
   -1.4749   -1.8801    0.0000 C   0  0
   -1.6762   -0.4638    0.0000 C   0  0
   -0.7218    0.4315    0.0000 C   0  0
    0.5915   -0.2947    0.0000 C   0  0
    0.7568   -1.7727    0.0000 N   0  0
    2.2295   -2.0573    0.0000 O   0  0
    2.9553   -0.7445    0.0000 C   0  0
    4.4447   -0.5600    0.0000 C   0  0
    5.6452   -1.3899    0.0000 C   0  0
    6.4668   -0.1348    0.0000 C   0  0
    7.4626   -1.2566    0.0000 F   0  0
    6.9309    1.2915    0.0000 F   0  0
    5.2117    0.6867    0.0000 C   0  0
    1.9311    0.3514    0.0000 N   0  0
    0.9255    0.4014    0.0000 C   0  0
    1.2019   -1.0091    0.0000 C   0  0
   -1.2237    1.9404    0.0000 C   0  0
   -1.2187    0.7671    0.0000 C   0  0
   -1.1368   -3.1292    0.0000 N   0  0
   -2.5538   -2.6373    0.0000 C   0  0
    1.3175   -8.1114    0.0000 F   0  0
    0.7794   -9.5114    0.0000 F   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  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  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 24  1  0
 23 25  1  0
 23 26  1  0
 26 21  1  0
 20 27  2  0
 27 17  1  0
 16 28  1  0
 28 29  1  0
 29 13  1  0
 16 30  1  0
 30 31  1  0
 31 13  1  0
 12 32  1  0
 32  9  1  0
 32 33  1  0
  2 34  1  0
  2 35  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21977

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
MK-4101

> <ctcr_id>
11687

> <supplier_cmpd_id>
T6891

> <smiles>
FC(c1ccccc1c1nnc(C23CCC(c4noc(C5CC(F)(F)C5)n4)(CC2)CC3)n1C)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{K410,MK-4101,MK4101,935273-79-3,935273793,SCHEMBL827179,BCP18385,EX-A1301,EXA1301,s8200,ZINC60325425,AKOS030528613,CCG-269638,CCG269638,CS-5749,CS5749,AC-33069,AC33069,AK550913,BS-17934,BS17934,HY-10
0036,HY100036,T6891}

> <pdid>
PD063622

> <targets>
{Smoothened,Apoptosis,Hedgehog,Smo}

> <classes>
{GPCR/G Protein,Stem Cells,Apoptosis,Stem Cell/Wnt}

> <pubchem_cids>
{16222379}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 29 32  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
    0.3114    2.9665    0.0000 N   0  0
    1.8032    3.1233    0.0000 C   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
    4.4165    3.9867    0.0000 O   0  0
    6.3509    2.2515    0.0000 N   0  0
    7.3537    3.3681    0.0000 C   0  0
    8.8220    3.0612    0.0000 C   0  0
    9.8221    4.1792    0.0000 C   0  0
    9.3539    5.6042    0.0000 C   0  0
   10.3544    6.7228    0.0000 C   0  0
   11.8232    6.4182    0.0000 C   0  0
   12.8214    7.5377    0.0000 C   0  0
   12.3510    8.9621    0.0000 C   0  0
   10.8823    9.2668    0.0000 C   0  0
    9.8840    8.1472    0.0000 C   0  0
    7.8856    5.9113    0.0000 N   0  0
    6.8856    4.7933    0.0000 N   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 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    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  7  1  0
  7  3  1  0
  7  8  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  2  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 12  1  0
  4 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21978

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
ETC-159

> <ctcr_id>
11688

> <supplier_cmpd_id>
T4043

> <smiles>
O=c1c2c(ncn2CC(=O)Nc2ccc(c3ccccc3)nn2)n(C)c(=O)n1C

> <pd_targets>
{PORCN}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"beta catenin inhibitor","porcupine inhibitor"}

> <synonyms>
{TC15,ETC-159,ETC159,1638250-96-0,1638250960,ETC-1922159,ETC1922159,UNII-5L854240DQ,UNII5L854240DQ,CHEMBL3633802,"2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide","2(1,3dimeth
yl2,6dioxopurin7yl)N(6phenylpyridazin3yl)acetamide",5L854240DQ,SCHEMBL17626176,GTPL11168,BCP20688,EX-A2302,EXA2302,BDBM50133866,NSC809251,ZINC175660737,CS-5162,CS5162,ET,T4043}

> <pdid>
PD062918

> <targets>
{¦Â-catenin,Porcupine,Wnt}

> <classes>
{Cytoskeletal Signaling,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{86280523}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 28 32  0  0  1  0            999 V2000
    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  0  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  1  0  0  0
    7.7884    1.5180    0.0000 O   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
   -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 N   0  0
    0.0000   -1.5000    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
    2.6082   -7.4904    0.0000 C   0  0
    2.6030   -5.9904    0.0000 C   0  0
    1.3014   -5.2449    0.0000 C   0  0
    3.7260   -8.4895    0.0000 N   0  0
    3.1206   -9.8619    0.0000 C   0  0
    1.6283   -9.7103    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  6
  3  8  1  6
  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 18  2  0
 18  9  1  0
 18 13  1  0
 16 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 22  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21979

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
NCB-0846

> <ctcr_id>
11689

> <supplier_cmpd_id>
T4011

> <smiles>
C1C[C@H](CC[C@H]1O)Oc1cccc2cnc(nc12)Nc1cc2c(cc1)nc[nH]2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CB084,NCB-0846,NCB0846,1792999-26-8,1792999268,cis-4-(2-(3H-Benzo(d)imidazol-5-ylamino)quinazolin-8-yloxy)cyclohexanol,cis4(2(3HBenzo(d)imidazol5ylamino)quinazolin8yloxy)cyclohexanol,cis-4-((2-(1H-Be
nzimidazol-6-ylamino)-8-quinazolinyl)oxy)-cyclohexanol,cis4((2(1HBenzimidazol6ylamino)8quinazolinyl)oxy)cyclohexanol,Cis-4-((2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl)oxy)cyclohexanol,Cis4((2(1hBen
zimidazol5Ylamino)quinazolin8Yl)oxy)cyclohexanol,SCHEMBL1804,T4011}

> <pdid>
PD063722

> <targets>
{Wnt/beta-catenin,TNIK}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{91801204}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 33 35  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    7.0971   -0.2769    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    6.2088    2.5888    0.0000 O   0  0
    8.1173    0.8252    0.0000 N   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
    9.5823    0.4944    0.0000 F   0  0
   11.0451    0.1633    0.0000 F   0  0
   11.6197    2.6975    0.0000 C   0  0
   13.0828    2.3667    0.0000 F   0  0
   12.6379    3.7990    0.0000 F   0  0
   11.1751    4.1301    0.0000 F   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   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
  1  2  1  0
  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
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
 15 16  2  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
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  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 18  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21980

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
RO4929097

> <ctcr_id>
6991

> <supplier_cmpd_id>
T6274

> <smiles>
CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1C(=O)Nc2ccccc2c3ccccc13

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel","Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{PSEN1}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{SCHEMBL457497,CHEMBL2138161,HMS3655E07,BCP02623,NCGC00389635-02,NCGC0038963502,AK175998,S1575,RO4929097}

> <pdid>
PD003498

> <targets>
{Gamma-secretase,"Beta Amyloid"}

> <classes>
{}

> <pubchem_cids>
{11351859}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 28 30  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    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
    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
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 S   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.6939  -10.6297    0.0000 C   0  0
    9.1193  -10.1626    0.0000 C   0  0
    7.2254  -12.0546    0.0000 O   0  0
    5.7254  -12.0494    0.0000 C   0  0
    4.8390  -13.2605    0.0000 C   0  0
    5.3386  -14.6696    0.0000 C   0  0
    4.3641  -15.8100    0.0000 C   0  0
    2.8893  -15.5362    0.0000 C   0  0
    1.9120  -16.6752    0.0000 C   0  0
    0.4375  -16.3994    0.0000 C   0  0
    2.3890  -14.1221    0.0000 C   0  0
    3.3634  -12.9818    0.0000 C   0  0
    5.2668  -10.6212    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  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  6  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 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  1  0
 23 26  1  0
 26 27  2  3
 27 20  1  0
 19 28  2  3
 28 15  1  0
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21981

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
iCRT3

> <ctcr_id>
11690

> <supplier_cmpd_id>
T4302

> <smiles>
O=C(NCCC1=CC=CC=C1)CSCC2=C(C)OC(C3=CC=C(CC)C=C3)=N2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{iCRT3,901751-47-1,901751471,iCRT-3,CHEMBL3589009,ChemDiv3_009799,ChemDiv3009799,ChemDiv3-009799,"ChemDiv3 009799",SCHEMBL12007212,AOB5647,HMS1500N09,BCP32691,EX-A2625,EXA2625,ZINC5057585,BDBM50094606
,CCG-268593,CCG268593,MCULE-4106397177,MCULE4106397177,IDI1_027709,IDI1027709,IDI1-027709,"IDI1 027709",NCGC00408921-01,NCGC0040892101,AK210257,BS-17818,BS17818,HY-103705,HY103705,CS-0033387,CS0033387
,FT-0775219,FT0775219,S8647,A168,T4302}

> <pdid>
PD039848

> <targets>
{Wnt,Wnt/¦Â-catenin}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{6622273}

$$$$
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library
  SciTegic11012413012D

 25 26  0  0  1  0            999 V2000
    9.0919    0.7681    0.0000 C   0  0
    7.7903    1.5136    0.0000 C   0  0
    6.4939    0.7591    0.0000 C   0  0  2  0  0  0
    6.4990   -0.7409    0.0000 C   0  0  1  0  0  0
    7.8007   -1.4864    0.0000 N   0  0
    9.0971   -0.7319    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 O   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
    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 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 Cl  0  0
   -5.1962    1.5000    0.0000 Br  0  0
    5.1923    1.5046    0.0000 O   0  0
   11.5971   -0.7436    0.0000 Br  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  1
  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 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 11  1  0
 20 21  2  0
 17 22  1  0
 16 23  1  0
  3 24  1  6
M  END
> <name>
TargetMol_L4300_Wnt Hedgehog and Notch Compound Library

> <id>
21982

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
Halofuginone hydrobromide

> <ctcr_id>
11691

> <supplier_cmpd_id>
T3524

> <smiles>
C1C[C@H]([C@@H](NC1)CC(=O)Cn1cnc2cc(c(cc2c1=O)Cl)Br)O.Br

> <pd_targets>
{PRORS}

> <pathway_gtopdb>
{Enzyme,Ligase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Antimalarial targets","Aminoacyl-tRNA synthetases"}

> <pathway_reactome>
{}

> <broad_targets>
{COL1A1,MMP2}

> <broad_moa>
{"collagenase inhibitor"}

> <synonyms>
{"Halofuginone hydrobromide",64924-67-0,64924670,Stenorol,Tempostatin,NSC-713205,NSC713205,"Halofuginone (hydrobromide)","Ru 19110",Halofuginonehydrobromide,"Halofuginone hydrobromide (USAN)","Halofug
inone HBr","Stenorol (TN)",HT-100,HT100,Ha,T3524}

> <pdid>
PD006225

> <targets>
{ProRS,Calcium Channel,DNA/RNA Synthesis,Parasite,Sodium Channel,TGF-beta/Smad}

> <classes>
{Others,Anti-infection,Cell Cycle/DNA Damage,Membrane Transporter/Ion Channel,Neuronal Signaling,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{400771}

$$$$
