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Compile Data Set for Download or QSAR

Found 467 hits Enz. Inhib. hit(s) with Target = 'STAT3' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
STAT3


(Homo sapiens)
BDBM43584
PNG
(2-[(1-methyl-2-benzimidazolyl)methylamino]phenol |...)
Show SMILES Cn1c(CNc2ccccc2O)nc2ccccc12
Show InChI InChI=1S/C15H15N3O/c1-18-13-8-4-2-6-11(13)17-15(18)10-16-12-7-3-5-9-14(12)19/h2-9,16,19H,10H2,1H3
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Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43560
PNG
(4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrro...)
Show SMILES COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
Show InChI InChI=1S/C16H18N2O3/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-12-7-5-6-8-13(12)21-4/h5-8,17H,1-4H3,(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43604
PNG
(MLS000522376 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl
Show InChI InChI=1S/C15H15ClN2O4/c1-20-13-6-10(14(21-2)5-9(13)16)17-15(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43595
PNG
(MLS000104263 | N-(1-acetyl-2-chloro-3-indolyl)acet...)
Show SMILES CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12
Show InChI InChI=1S/C12H11ClN2O2/c1-7(16)14-11-9-5-3-4-6-10(9)15(8(2)17)12(11)13/h3-6H,1-2H3,(H,14,16)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43614
PNG
(2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N,N...)
Show SMILES CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12
Show InChI InChI=1S/C19H24N4O2/c1-4-10-21(11-5-2)18(25)13-22-16-9-7-6-8-15(16)19-20-17(24)12-14(3)23(19)22/h6-9,12H,4-5,10-11,13H2,1-3H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43577
PNG
(MLS000116379 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES CCCc1cc(no1)C(=O)Nc1cc(OC)c(Cl)cc1OC
Show InChI InChI=1S/C15H17ClN2O4/c1-4-5-9-6-12(18-22-9)15(19)17-11-8-13(20-2)10(16)7-14(11)21-3/h6-8H,4-5H2,1-3H3,(H,17,19)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43599
PNG
(MLS000520019 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES COc1cc(NC(=O)c2cc(on2)C(C)C)c(OC)cc1Cl
Show InChI InChI=1S/C15H17ClN2O4/c1-8(2)12-7-11(18-22-12)15(19)17-10-6-13(20-3)9(16)5-14(10)21-4/h5-8H,1-4H3,(H,17,19)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43647
PNG
((4E)-4-(1H-indol-2-ylmethylene)-5-methyl-2-phenyl-...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=c2ccccc2=N1
Show InChI InChI=1S/C19H15N3O/c1-13-17(12-15-11-14-7-5-6-10-18(14)20-15)19(23)22(21-13)16-8-3-2-4-9-16/h2-12,21H,1H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43632
PNG
(1-(o-anisoylamino)-3-phenyl-thiourea | 1-[(2-metho...)
Show SMILES COc1ccccc1C(=O)NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43618
PNG
(3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothio...)
Show SMILES CC(C)CC(=O)NC(=S)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H17N3OS2/c1-10(2)8-13(19)17-14(20)18-15-16-12(9-21-15)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19,20)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43603
PNG
(5-(2-ethoxyphenyl)-1,3,4-oxadiazole-2-thiol | 5-(2...)
Show SMILES CCOc1ccccc1-c1nnc(S)o1
Show InChI InChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43645
PNG
(MLS000621487 | N-(5-chloranyl-2-oxidanyl-phenyl)-2...)
Show SMILES Oc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl
Show InChI InChI=1S/C14H11Cl2NO3/c15-9-5-6-12(18)11(7-9)17-14(19)8-20-13-4-2-1-3-10(13)16/h1-7,18H,8H2,(H,17,19)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43611
PNG
(3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-benz...)
Show SMILES Cc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)s1
Show InChI InChI=1S/C17H13N3O2S/c1-9-12-8-7-11-5-3-4-6-13(11)15(12)22-14(9)16(21)18-17-20-19-10(2)23-17/h3-8H,1-2H3,(H,18,20,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43655
PNG
((3Z)-3-[(4-bromanylthiophen-2-yl)methylidene]-1-me...)
Show SMILES CN1C(=O)\C(=C/c2cc(Br)cs2)c2ccccc12
Show InChI InChI=1S/C14H10BrNOS/c1-16-13-5-3-2-4-11(13)12(14(16)17)7-10-6-9(15)8-18-10/h2-8H,1H3/b12-7-
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43639
PNG
(2-[1-(4-ethoxybenzyl)-4-(1H-indol-2-ylmethyl)piper...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)cc1
Show InChI InChI=1S/C24H31N3O2/c1-2-29-23-9-7-19(8-10-23)16-27-13-12-26(18-22(27)11-14-28)17-21-15-20-5-3-4-6-24(20)25-21/h3-10,15,22,25,28H,2,11-14,16-18H2,1H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM40201
PNG
(5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12
Show InChI InChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43565
PNG
(3-benzyl-4,4,4-trifluoro-2-formamido-3-hydroxy-but...)
Show SMILES COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO4/c1-21-11(19)10(17-8-18)12(20,13(14,15)16)7-9-5-3-2-4-6-9/h2-6,8,10,20H,7H2,1H3,(H,17,18)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43652
PNG
(MLS000706198 | SMR000288250 | [5-amino-3-(4-chloro...)
Show SMILES Nc1nc(nn1C(=O)c1cccs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN4OS/c14-9-5-3-8(4-6-9)11-16-13(15)18(17-11)12(19)10-2-1-7-20-10/h1-7H,(H2,15,16,17)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46356
PNG
(DIGITOXIN | MLS000069787 | SMR000058529 | cid_4412...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
Show InChI InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
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PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43546
PNG
(7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]tr...)
Show SMILES COCc1cc(=O)n2c(n[nH]c2n1)-c1ccccc1OC
Show InChI InChI=1S/C14H14N4O3/c1-20-8-9-7-12(19)18-13(16-17-14(18)15-9)10-5-3-4-6-11(10)21-2/h3-7H,8H2,1-2H3,(H,15,17)
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PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46401
PNG
(1-(2-nitrophenyl)-3-[[(E)-(6-oxidanylidene-4-propo...)
Show SMILES CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1
Show InChI InChI=1S/C17H17N4O4S/c1-2-9-25-13-8-7-12(16(22)10-13)11-18-20-17(26)19-14-5-3-4-6-15(14)21(23)24/h3-8,10-11H,2,9H2,1H3,(H2,19,20,26)/q-1/p+1
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46374
PNG
(1-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-pyr...)
Show SMILES COC(=O)c1nn(cc1O)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C15H15N3O4/c1-9(19)17-6-5-10-7-11(3-4-12(10)17)18-8-13(20)14(16-18)15(21)22-2/h3-4,7-8,20H,5-6H2,1-2H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43634
PNG
(2-methyl-N-[4-[(o-anisoylamino)carbamoyl]phenyl]pr...)
Show SMILES COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1
Show InChI InChI=1S/C19H21N3O4/c1-12(2)17(23)20-14-10-8-13(9-11-14)18(24)21-22-19(25)15-6-4-5-7-16(15)26-3/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43583
PNG
(4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4...)
Show SMILES C1CN(c2ccccc2C1)c1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C18H15N5/c1-3-9-15-13(6-1)7-5-11-22(15)17-18-21-19-12-23(18)16-10-4-2-8-14(16)20-17/h1-4,6,8-10,12H,5,7,11H2
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46423
PNG
(4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine ...)
Show SMILES C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1
Show InChI InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
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n/an/a 1.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37218
PNG
(5-keto-N-(4-phenoxyphenyl)-2,3-dihydrothiazolo[3,2...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2SCCn2c1=O
Show InChI InChI=1S/C19H15N3O3S/c23-17(16-12-20-19-22(18(16)24)10-11-26-19)21-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,23)
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n/an/a 1.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43569
PNG
(MLS000087216 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES COc1cc(NC(=O)c2cc(on2)-c2ccco2)c(OC)cc1Cl
Show InChI InChI=1S/C16H13ClN2O5/c1-21-13-7-10(14(22-2)6-9(13)17)18-16(20)11-8-15(24-19-11)12-4-3-5-23-12/h3-8H,1-2H3,(H,18,20)
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n/an/a 1.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46400
PNG
(1-[(3-hydroxy-4-methoxy-benzylidene)amino]-3-(2-ni...)
Show SMILES COc1ccc(C=NNC(=S)Nc2ccccc2[N+]([O-])=O)cc1O
Show InChI InChI=1S/C15H14N4O4S/c1-23-14-7-6-10(8-13(14)20)9-16-18-15(24)17-11-4-2-3-5-12(11)19(21)22/h2-9,20H,1H3,(H2,17,18,24)
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n/an/a 1.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46424
PNG
((3Z)-1-(2-isoquinolin-2-iumyl)-3-(1,3,3-trimethyl-...)
Show SMILES CN1C(=CC(=O)C[n+]2ccc3ccccc3c2)C(C)(C)c2ccccc12
Show InChI InChI=1S/C23H23N2O/c1-23(2)20-10-6-7-11-21(20)24(3)22(23)14-19(26)16-25-13-12-17-8-4-5-9-18(17)15-25/h4-15H,16H2,1-3H3/q+1
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n/an/a 1.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46406
PNG
(3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl methy...)
Show SMILES CNC(=O)Oc1cccc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C15H12ClN3O2/c1-17-15(20)21-12-4-2-3-10(7-12)13-9-19-8-11(16)5-6-14(19)18-13/h2-9H,1H3,(H,17,20)
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n/an/a 1.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43617
PNG
(MLS000583768 | N-(1H-perimidin-2-yl)benzamide | N-...)
Show SMILES O=C(Nc1nc2cccc3cccc([nH]1)c23)c1ccccc1
Show InChI InChI=1S/C18H13N3O/c22-17(13-6-2-1-3-7-13)21-18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11H,(H2,19,20,21,22)
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n/an/a 1.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46355
PNG
(DIGOXIN | MLS000069819 | SMR000059217 | cid_272438...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43581
PNG
(MLS000116547 | N-cyclohexyl-2-[[5-(2-methoxyphenyl...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1
Show InChI InChI=1S/C17H21N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)
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n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43566
PNG
(6-[1-(2-methoxyanilino)-1-oxobutan-2-yl]-5-thieno[...)
Show SMILES CCC(C(=O)Nc1ccccc1OC)n1c(cc2ccsc12)C(=O)OC
Show InChI InChI=1S/C19H20N2O4S/c1-4-14(17(22)20-13-7-5-6-8-16(13)24-2)21-15(19(23)25-3)11-12-9-10-26-18(12)21/h5-11,14H,4H2,1-3H3,(H,20,22)
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n/an/a 2.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM30930
PNG
(3-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamin...)
Show SMILES COC(=O)c1sccc1NC(=O)c1cc2CCCCc2s1
Show InChI InChI=1S/C15H15NO3S2/c1-19-15(18)13-10(6-7-20-13)16-14(17)12-8-9-4-2-3-5-11(9)21-12/h6-8H,2-5H2,1H3,(H,16,17)
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n/an/a>2.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43554
PNG
(MLS000078111 | N-(5-chloranyl-2-oxidanyl-phenyl)-2...)
Show SMILES COc1ccccc1C(=O)Nc1cc(Cl)ccc1O
Show InChI InChI=1S/C14H12ClNO3/c1-19-13-5-3-2-4-10(13)14(18)16-11-8-9(15)6-7-12(11)17/h2-8,17H,1H3,(H,16,18)
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n/an/a>2.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43625
PNG
(1-(2-fluorophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-...)
Show SMILES Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F
Show InChI InChI=1S/C22H19FN4O2/c1-13-19(26-29-25-13)12-20(28)27-11-10-15-14-6-3-5-9-18(14)24-21(15)22(27)16-7-2-4-8-17(16)23/h2-9,22,24H,10-12H2,1H3
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n/an/a>2.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46377
PNG
(4-(2-{[(2-bromobenzyl)sulfanyl]acetyl}carbohydrazo...)
Show SMILES COC(=O)Oc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OC
Show InChI InChI=1S/C19H19BrN2O5S/c1-25-17-9-13(7-8-16(17)27-19(24)26-2)10-21-22-18(23)12-28-11-14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,22,23)
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n/an/a 2.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46349
PNG
(4-butoxy-N-(4-pyridyl)benzamide | 4-butoxy-N-4-pyr...)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C16H18N2O2/c1-2-3-12-20-15-6-4-13(5-7-15)16(19)18-14-8-10-17-11-9-14/h4-11H,2-3,12H2,1H3,(H,17,18,19)
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n/an/a 2.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43555
PNG
(2-(4-methyl-2-quinazolinyl)-1-phenylguanidine | 2-...)
Show SMILES Cc1nc(NC(N)=Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H15N5/c1-11-13-9-5-6-10-14(13)20-16(18-11)21-15(17)19-12-7-3-2-4-8-12/h2-10H,1H3,(H3,17,18,19,20,21)
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n/an/a 2.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46408
PNG
(4-phenyl-N-(4-pyridyl)benzamide | 4-phenyl-N-pyrid...)
Show SMILES O=C(Nc1ccncc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O/c21-18(20-17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,19,20,21)
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n/an/a 2.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46361
PNG
(2-cyclohexyl-1,3-bis(oxidanylidene)-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
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n/an/a 2.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43636
PNG
(6-[1-(2-fluoro-4-methoxy-phenyl)-1,3,4,9-tetrahydr...)
Show SMILES COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccc(=O)n(C)n2)c(F)c1
Show InChI InChI=1S/C24H21FN4O3/c1-28-21(30)10-9-20(27-28)24(31)29-12-11-16-15-5-3-4-6-19(15)26-22(16)23(29)17-8-7-14(32-2)13-18(17)25/h3-10,13,23,26H,11-12H2,1-2H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43644
PNG
(MLS000715265 | N-(2-hydroxyphenyl)-4,5,6,7-tetrahy...)
Show SMILES Oc1ccccc1NC(=O)c1csc2CCCCc12
Show InChI InChI=1S/C15H15NO2S/c17-13-7-3-2-6-12(13)16-15(18)11-9-19-14-8-4-1-5-10(11)14/h2-3,6-7,9,17H,1,4-5,8H2,(H,16,18)
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n/an/a 2.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43630
PNG
(MLS000735607 | N-[3-[1-(3-methylphenyl)-1,3,4,9-te...)
Show SMILES CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)c1
Show InChI InChI=1S/C23H25N3O2/c1-15-6-5-7-17(14-15)23-22-19(18-8-3-4-9-20(18)25-22)11-13-26(23)21(28)10-12-24-16(2)27/h3-9,14,23,25H,10-13H2,1-2H3,(H,24,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
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n/an/a 2.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43635
PNG
(3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-...)
Show SMILES O=C(CCc1nnc(Cc2ccc3OCOc3c2)o1)NCc1nc2ccccc2s1
Show InChI InChI=1S/C21H18N4O4S/c26-18(22-11-21-23-14-3-1-2-4-17(14)30-21)7-8-19-24-25-20(29-19)10-13-5-6-15-16(9-13)28-12-27-15/h1-6,9H,7-8,10-12H2,(H,22,26)
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n/an/a 2.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46385
PNG
(4-[(4-bromanylphenoxy)methyl]-N-[1-[(2-fluoropheny...)
Show SMILES Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1
Show InChI InChI=1S/C24H19BrFN3O2/c25-20-9-11-21(12-10-20)31-16-17-5-7-18(8-6-17)24(30)27-23-13-14-29(28-23)15-19-3-1-2-4-22(19)26/h1-14H,15-16H2,(H,27,28,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46350
PNG
(4-[[4-(morpholinomethyl)benzoyl]amino]benzoic acid...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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