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PubChem AID 1399

Compile data set for download or QSAR
Found 118 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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)
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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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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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n/an/a 1.05E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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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n/an/a 1.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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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n/an/a 1.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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

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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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


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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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

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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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

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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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46416
PNG
(2-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-1-ethylpy...)
Show SMILES CC[n+]1ccccc1\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H21N2/c1-4-19-14-6-5-7-17(19)13-10-15-8-11-16(12-9-15)18(2)3/h5-14H,4H2,1-3H3/q+1
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n/an/a 2.94E+3n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM36863
PNG
(4-(Cyclohexylmethyl-sulfamoyl)-N-thiazol-2-yl-benz...)
Show SMILES O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1
Show InChI InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)
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n/an/a 3.03E+3n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46370
PNG
(2-(4-bromanyl-3,5-dimethyl-phenoxy)-N-pyridin-4-yl...)
Show SMILES Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br
Show InChI InChI=1S/C15H15BrN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)
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n/an/a 3.18E+3n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM32325
PNG
(1-(3-chlorophenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)
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n/an/a 3.20E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46357
PNG
(MLS000526754 | SMR000117228 | cid_2876252)
Show SMILES O=C1C2C(C3c4ccccc4C2c2ccccc32)c2nc3ccccc3n12
Show InChI InChI=1S/C24H16N2O/c27-24-22-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)21(22)23-25-17-11-5-6-12-18(17)26(23)24/h1-12,19-22H
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n/an/a 3.23E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46379
PNG
(3-[(2-bromanylphenoxy)methyl]benzohydrazide | 3-[(...)
Show SMILES NNC(=O)c1cccc(COc2ccccc2Br)c1
Show InChI InChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
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n/an/a 3.25E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46405
PNG
(2-ethoxy-3-pyridinecarboxylic acid [2-[4-(6-methyl...)
Show SMILES CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C24H21N3O4S/c1-3-30-22-18(5-4-12-25-22)24(29)31-14-21(28)26-17-9-7-16(8-10-17)23-27-19-11-6-15(2)13-20(19)32-23/h4-13H,3,14H2,1-2H3,(H,26,28)
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n/an/a 3.25E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46410
PNG
(4-(5-heptyl-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES CCCCCCCc1ccc(nc1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H23NO/c1-2-3-4-5-6-7-15-8-13-18(19-14-15)16-9-11-17(20)12-10-16/h8-14,20H,2-7H2,1H3
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n/an/a 3.26E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a 3.28E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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n/an/a 3.32E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46418
PNG
(MLS000720514 | N-(6-morpholin-4-ylpyridin-3-yl)-4-...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)16(24)22-14-5-6-15(21-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)
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n/an/a 3.40E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46388
PNG
(3-(4-fluorobenzyl)oxy-2-methyl-quinoline | 3-[(4-f...)
Show SMILES Cc1nc2ccccc2cc1OCc1ccc(F)cc1
Show InChI InChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3
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n/an/a 3.47E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46363
PNG
(MLS000521703 | N-(3-hydroxyphenyl)-4,5-dihydrobenz...)
Show SMILES Oc1cccc(NC(=O)c2noc-3c2CCc2ccccc-32)c1
Show InChI InChI=1S/C18H14N2O3/c21-13-6-3-5-12(10-13)19-18(22)16-15-9-8-11-4-1-2-7-14(11)17(15)23-20-16/h1-7,10,21H,8-9H2,(H,19,22)
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n/an/a 3.55E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46396
PNG
(MLS000589892 | N-(3-Hydroxy-phenyl)-N'-pyridin...)
Show SMILES Oc1cccc(NC(=O)C(=O)Nc2ccccn2)c1
Show InChI InChI=1S/C13H11N3O3/c17-10-5-3-4-9(8-10)15-12(18)13(19)16-11-6-1-2-7-14-11/h1-8,17H,(H,15,18)(H,14,16,19)
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n/an/a 3.70E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46341
PNG
(2-[2-[[2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-p...)
Show SMILES CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1
Show InChI InChI=1S/C18H24N4O5S2/c1-5-27-13(24)6-11-8-28-17(20-11)29-9-12(23)14-15(19)22(7-10(2)3)18(26)21(4)16(14)25/h8,10H,5-7,9,19H2,1-4H3
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n/an/a 3.70E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46340
PNG
(MLS000041975 | N-(1-isobutyl-6-methoxy-pyrazolo[3,...)
Show SMILES COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1
Show InChI InChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25)
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n/an/a 3.75E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46375
PNG
(MLS000569713 | N-(4-methyl-1,3-thiazol-2-yl)-4,5,6...)
Show SMILES Cc1csc(NC(=O)c2cc3CCCCc3s2)n1
Show InChI InChI=1S/C13H14N2OS2/c1-8-7-17-13(14-8)15-12(16)11-6-9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3,(H,14,15,16)
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n/an/a 3.82E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46351
PNG
(MLS000119730 | N-[4-(diethylamino)-2-methyl-phenyl...)
Show SMILES CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc23)c(C)c1
Show InChI InChI=1S/C20H24N4O2S/c1-4-23(5-2)15-8-9-16(14(3)11-15)22-18(25)12-24-17-7-6-10-21-20(17)27-13-19(24)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)
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n/an/a 3.82E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46352
PNG
(MLS000118909 | N-cyclopropyl-4H-thieno[3,2-c][1]be...)
Show SMILES O=C(NC1CC1)c1cc2COc3ccccc3-c2s1
Show InChI InChI=1S/C15H13NO2S/c17-15(16-10-5-6-10)13-7-9-8-18-12-4-2-1-3-11(12)14(9)19-13/h1-4,7,10H,5-6,8H2,(H,16,17)
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n/an/a 3.83E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46402
PNG
(3,5-dimethoxy-N-[5-(phenylcarbamothioylamino)-1,3,...)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1
Show InChI InChI=1S/C18H17N5O3S2/c1-25-13-8-11(9-14(10-13)26-2)15(24)20-17-22-23-18(28-17)21-16(27)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22,24)(H2,19,21,23,27)
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n/an/a 3.91E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46394
PNG
(4-[mesyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulf...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)N(C)S(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C22H23N3O6S2/c1-25(32(3,27)28)19-10-4-16(5-11-19)22(26)23-17-8-14-21(15-9-17)33(29,30)24-18-6-12-20(31-2)13-7-18/h4-15,24H,1-3H3,(H,23,26)
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n/an/a 3.99E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37028
PNG
(MLS000098514 | N-[4-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES Clc1ccc(s1)-c1csc(NC(=O)c2ccncc2)n1
Show InChI InChI=1S/C13H8ClN3OS2/c14-11-2-1-10(20-11)9-7-19-13(16-9)17-12(18)8-3-5-15-6-4-8/h1-7H,(H,16,17,18)
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n/an/a 4.01E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46413
PNG
(2-benzyl-5-(4-bromophenyl)pyrazol-3-amine | 5-(4-b...)
Show SMILES Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2
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n/an/a 4.05E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46415
PNG
(1-[4-(2,4-ditert-amylphenoxy)butyl]-3-methyl-pyrid...)
Show SMILES CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC
Show InChI InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1
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n/an/a 4.09E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46407
PNG
(2-(4-methylphenyl)-6-nitro-imidazo[1,2-a]pyridine ...)
Show SMILES Cc1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O2/c1-10-2-4-11(5-3-10)13-9-16-8-12(17(18)19)6-7-14(16)15-13/h2-9H,1H3
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n/an/a 4.09E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46339
PNG
(4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carbox...)
Show SMILES Nc1c(nsc1C(=O)OCC(=O)NC1CCCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H28N4O4S/c20-15-16(18(25)22-13-9-5-2-6-10-13)23-28-17(15)19(26)27-11-14(24)21-12-7-3-1-4-8-12/h12-13H,1-11,20H2,(H,21,24)(H,22,25)
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n/an/a 4.22E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46343
PNG
(4-(4-morpholinylsulfonyl)-N-[4-(pyridin-4-ylmethyl...)
Show SMILES O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H23N3O4S/c27-23(25-21-5-1-18(2-6-21)17-19-9-11-24-12-10-19)20-3-7-22(8-4-20)31(28,29)26-13-15-30-16-14-26/h1-12H,13-17H2,(H,25,27)
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n/an/a 4.31E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46414
PNG
(4-(sec-butylthiocarbamoylamino)benzoic acid methyl...)
Show SMILES CCC(C)NC(=S)Nc1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C13H18N2O2S/c1-4-9(2)14-13(18)15-11-7-5-10(6-8-11)12(16)17-3/h5-9H,4H2,1-3H3,(H2,14,15,18)
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n/an/a 4.35E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37095
PNG
(4-(6-methyl-5-imidazo[2,1-b]thiazolyl)-N-(phenylme...)
Show SMILES Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1
Show InChI InChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)
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n/an/a 4.37E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46391
PNG
(2-chlorobenzoic acid [3-(4-quinazolinylamino)pheny...)
Show SMILES Clc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C21H14ClN3O2/c22-18-10-3-1-8-16(18)21(26)27-15-7-5-6-14(12-15)25-20-17-9-2-4-11-19(17)23-13-24-20/h1-13H,(H,23,24,25)
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n/an/a 4.44E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46368
PNG
(4-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-1...)
Show SMILES Cc1cccc(C)c1NC(=O)N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C20H22N4OS/c1-14-6-5-7-15(2)18(14)22-19(25)23-10-12-24(13-11-23)20-21-16-8-3-4-9-17(16)26-20/h3-9H,10-13H2,1-2H3,(H,22,25)
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n/an/a 4.48E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM42690
PNG
(1H-indazole-3-carboxylic acid [2-keto-2-(4-pyrroli...)
Show SMILES O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H20N4O5S/c25-18(13-29-20(26)19-16-5-1-2-6-17(16)22-23-19)21-14-7-9-15(10-8-14)30(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,21,25)(H,22,23)
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n/an/a 4.50E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46346
PNG
(1-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrol...)
Show SMILES O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24N2O3S/c24-21-7-4-14-23(21)19-8-10-20(11-9-19)27(25,26)22-15-12-18(13-16-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2
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n/an/a 4.50E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46372
PNG
(MLS000554850 | SMR000146967 | cid_9551755)
Show SMILES O=C1C2[C@H](C3c4ccccc4C2c2ccccc32)c2nc3ccccc3n12
Show InChI InChI=1S/C24H16N2O/c27-24-22-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)21(22)23-25-17-11-5-6-12-18(17)26(23)24/h1-12,19-22H/t19?,20?,21-,22?/m0/s1
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n/an/a 4.51E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46371
PNG
(3-bromanyl-N-[1-methyl-2-(piperidin-1-ylmethyl)ben...)
Show SMILES Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc12
Show InChI InChI=1S/C21H23BrN4O/c1-25-19-9-8-17(23-21(27)15-6-5-7-16(22)12-15)13-18(19)24-20(25)14-26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)
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n/an/a 4.56E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/a 4.56E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46422
PNG
(3-({[(2E)-2-(4-methoxybenzylidene)hydrazino]carbon...)
Show SMILES COc1ccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C16H15N3O3S/c1-22-14-7-5-11(6-8-14)10-17-19-16(23)18-13-4-2-3-12(9-13)15(20)21/h2-10H,1H3,(H,20,21)(H2,18,19,23)
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n/an/a 4.56E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46397
PNG
(2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1
Show InChI InChI=1S/C34H28N4O5/c1-21-32(33(40)38(37(21)2)25-9-5-4-6-10-25)36-31(39)20-43-34(41)28-19-30(35-29-12-8-7-11-27(28)29)24-14-13-23-18-26(42-3)16-15-22(23)17-24/h4-19H,20H2,1-3H3,(H,36,39)
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n/an/a 4.63E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46390
PNG
(2-methyl-3-phenylmethoxy-quinoline | 2-methyl-3-ph...)
Show SMILES Cc1nc2ccccc2cc1OCc1ccccc1
Show InChI InChI=1S/C17H15NO/c1-13-17(19-12-14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)18-13/h2-11H,12H2,1H3
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n/an/a 4.76E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46425
PNG
(1-[4-(4-methylphenyl)azophenyl]ethanone | 1-[4-(p-...)
Show SMILES CC(=O)c1ccc(cc1)N=Nc1ccc(C)cc1
Show InChI InChI=1S/C15H14N2O/c1-11-3-7-14(8-4-11)16-17-15-9-5-13(6-10-15)12(2)18/h3-10H,1-2H3
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n/an/a 4.77E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46428
PNG
(1-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-2-yl]...)
Show SMILES NC(=O)C1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28)
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n/an/a 4.93E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46344
PNG
(MLS000087075 | N-(3-hydroxyphenyl)-5-(3-methoxyphe...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C17H14N2O4/c1-22-14-7-2-4-11(8-14)16-10-15(19-23-16)17(21)18-12-5-3-6-13(20)9-12/h2-10,20H,1H3,(H,18,21)
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n/an/a 4.99E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46337
PNG
(1-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-...)
Show SMILES Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1
Show InChI InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)10-24-17-21-20-16(23-17)9-22-11-19-14-3-1-2-4-15(14)22/h1-8,11H,9-10H2
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n/an/a 5.02E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM39665
PNG
((2E)-2-[(3-methyl-2-thienyl)methylene]tetralin-1-o...)
Show SMILES Cc1ccsc1\C=C1/CCc2ccccc2C1=O
Show InChI InChI=1S/C16H14OS/c1-11-8-9-18-15(11)10-13-7-6-12-4-2-3-5-14(12)16(13)17/h2-5,8-10H,6-7H2,1H3/b13-10+
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n/an/a 5.04E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM39003
PNG
(5-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfamoyl]...)
Show SMILES CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
Show InChI InChI=1S/C21H21N3O6S/c1-5-29-20(25)19-12(2)15-11-14(7-9-18(15)30-19)31(27,28)22-13-6-8-16-17(10-13)24(4)21(26)23(16)3/h6-11,22H,5H2,1-4H3
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n/an/a 5.04E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37339
PNG
(4-[5-(2,2-diphenylethyl)-1,2,4-oxadiazol-3-yl]pyri...)
Show SMILES C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-20-23-21(24-25-20)18-11-13-22-14-12-18/h1-14,19H,15H2
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n/an/a 5.05E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM40249
PNG
(5-(1,3-benzothiazol-2-yl)-N-propyl-2-thiophenecarb...)
Show SMILES CCCNC(=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C15H14N2OS2/c1-2-9-16-14(18)12-7-8-13(19-12)15-17-10-5-3-4-6-11(10)20-15/h3-8H,2,9H2,1H3,(H,16,18)
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n/an/a 5.06E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46366
PNG
(MLS000537273 | N-[2-methoxy-5-(3-methyl-4-oxidanyl...)
Show SMILES COc1ccc(cc1NC(=O)COc1ccc(C)cc1)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C25H23N3O4/c1-16-8-11-18(12-9-16)32-15-23(29)26-21-14-17(10-13-22(21)31-3)24-19-6-4-5-7-20(19)25(30)28(2)27-24/h4-14H,15H2,1-3H3,(H,26,29)
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n/an/a 5.06E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46358
PNG
(2-(3-Acetyl-indol-1-yl)-N-o-tolyl-acetamide | 2-(3...)
Show SMILES CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C19H18N2O2/c1-13-7-3-5-9-17(13)20-19(23)12-21-11-16(14(2)22)15-8-4-6-10-18(15)21/h3-11H,12H2,1-2H3,(H,20,23)
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n/an/a 5.07E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46378
PNG
(4-[(2-chloranylphenoxy)methyl]-N-[1-[(2-fluorophen...)
Show SMILES Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1
Show InChI InChI=1S/C24H19ClFN3O2/c25-20-6-2-4-8-22(20)31-16-17-9-11-18(12-10-17)24(30)27-23-13-14-29(28-23)15-19-5-1-3-7-21(19)26/h1-14H,15-16H2,(H,27,28,30)
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n/an/a 5.12E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM38117
PNG
(1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C20H22N2O3S/c1-14(23)22-12-11-16-13-17(9-10-20(16)22)26(24,25)21-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-10,13,19,21H,4,6,8,11-12H2,1H3
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n/an/a 5.12E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46399
PNG
(6-chloranyl-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl...)
Show SMILES Clc1ccc(cn1)C(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H13Cl2N3O3S/c19-15-6-1-2-7-16(15)23-27(25,26)14-5-3-4-13(10-14)22-18(24)12-8-9-17(20)21-11-12/h1-11,23H,(H,22,24)
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n/an/a 5.14E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46426
PNG
((3Z)-1-(4-benzoyl-1-pyridin-1-iumyl)-3-(1,3,3-trim...)
Show SMILES CN1C(=CC(=O)C[n+]2ccc(cc2)C(=O)c2ccccc2)C(C)(C)c2ccccc12
Show InChI InChI=1S/C26H25N2O2/c1-26(2)22-11-7-8-12-23(22)27(3)24(26)17-21(29)18-28-15-13-20(14-16-28)25(30)19-9-5-4-6-10-19/h4-17H,18H2,1-3H3/q+1
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n/an/a 5.22E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46389
PNG
(3-[(4-chloroanilino)carbonyl]phenyl-N,N-dimethylsu...)
Show SMILES CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19)
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n/an/a 5.23E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46384
PNG
((2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-ac...)
Show SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=S)N1CCOCC1
Show InChI InChI=1S/C21H24N2O6S2/c1-3-28-20-14-16(21(30)23-10-12-27-13-11-23)4-9-19(20)29-31(25,26)18-7-5-17(6-8-18)22-15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
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n/an/a 5.23E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM50240982
PNG
((E)-(7S,11S)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,1...)
Show SMILES C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1
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n/an/a 5.25E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46373
PNG
(3-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]s...)
Show SMILES Cc1ccc(c(C)c1)-n1nnnc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N7OS/c1-11-7-8-15(12(2)9-11)24-17(19-20-22-24)26-10-23-16(25)13-5-3-4-6-14(13)18-21-23/h3-9H,10H2,1-2H3
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n/an/a 5.32E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46393
PNG
(6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(4,7-dim...)
Show SMILES Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc2c1
Show InChI InChI=1S/C22H19N7OS/c1-12-7-8-15-13(2)23-20(25-18(15)9-12)29-21-24-14(10-19(30)28-21)11-31-22-26-16-5-3-4-6-17(16)27-22/h3-10H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28,29,30)
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n/an/a 5.32E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM38926
PNG
(1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-meth...)
Show SMILES COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C
Show InChI InChI=1S/C17H19NO4/c1-10-16(12(3)19)11(2)18-17(10)13(20)9-22-15-8-6-5-7-14(15)21-4/h5-8,18H,9H2,1-4H3
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n/an/a 5.34E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46336
PNG
(3-[2-(3-Methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfan...)
Show SMILES COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1
Show InChI InChI=1S/C17H16N4O3S/c1-21-15-13(7-4-8-18-15)20-17(21)25-10-14(22)19-12-6-3-5-11(9-12)16(23)24-2/h3-9H,10H2,1-2H3,(H,19,22)
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n/an/a 5.35E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 5.36E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46395
PNG
((4E)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sul...)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3OCCOc3c2)c(O)c1
Show InChI InChI=1S/C16H13N3O4S/c20-10-2-3-11(12(21)8-10)15-17-18-16(24)19(15)9-1-4-13-14(7-9)23-6-5-22-13/h1-4,7-8,20-21H,5-6H2,(H,18,24)
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n/an/a 5.37E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46404
PNG
(2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-...)
Show SMILES CNc1ccccc1C(C)(C)c1cc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O/c1-19(2,15-6-4-5-7-16(15)21-3)18-12-17(22-23-18)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3
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n/an/a 5.41E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37177
PNG
(3-methyl-6-[3-(4-phenyl-3,6-dihydro-2H-pyridine-1-...)
Show SMILES Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C25H27N3O5S/c1-26-22-10-9-21(16-23(22)33-25(26)30)34(31,32)28-13-5-8-20(17-28)24(29)27-14-11-19(12-15-27)18-6-3-2-4-7-18/h2-4,6-7,9-11,16,20H,5,8,12-15,17H2,1H3
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n/an/a 5.41E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46360
PNG
(MLS000552498 | N-[1-(5-Bromo-2-methoxy-phenyl)-eth...)
Show SMILES COc1ccc(Br)cc1C(C)=NNC1=NCCN1
Show InChI InChI=1S/C12H15BrN4O/c1-8(16-17-12-14-5-6-15-12)10-7-9(13)3-4-11(10)18-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)
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n/an/a 5.44E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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n/an/a 5.48E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46345
PNG
(MLS000094160 | N-[(2-methyl-1,3-thiazol-4-yl)methy...)
Show SMILES Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1
Show InChI InChI=1S/C17H16N2O3S2/c1-13-19-14(12-23-13)11-18-24(20,21)17-9-7-16(8-10-17)22-15-5-3-2-4-6-15/h2-10,12,18H,11H2,1H3
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n/an/a 5.54E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46403
PNG
(6-amino-1-isobutyl-3-methyl-5-[2-(phenylthio)acety...)
Show SMILES CC(C)Cn1c(N)c(C(=O)CSc2ccccc2)c(=O)n(C)c1=O
Show InChI InChI=1S/C17H21N3O3S/c1-11(2)9-20-15(18)14(16(22)19(3)17(20)23)13(21)10-24-12-7-5-4-6-8-12/h4-8,11H,9-10,18H2,1-3H3
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n/an/a 5.57E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46411
PNG
(5-bromanyl-2-[4-(pyridin-4-ylmethyl)phenyl]isoindo...)
Show SMILES Brc1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2
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n/an/a 5.65E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46362
PNG
(1-[4-(2-methylphenoxy)butyl]-1H-benzimidazole | 1-...)
Show SMILES Cc1ccccc1OCCCCn1cnc2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-15-8-2-5-11-18(15)21-13-7-6-12-20-14-19-16-9-3-4-10-17(16)20/h2-5,8-11,14H,6-7,12-13H2,1H3
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n/an/a 5.73E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46417
PNG
(1-(2,4-dimethylphenyl)-4-(3-pyridinylmethylthio)py...)
Show SMILES Cc1ccc(c(C)c1)-n1ncc2c(SCc3cccnc3)ncnc12
Show InChI InChI=1S/C19H17N5S/c1-13-5-6-17(14(2)8-13)24-18-16(10-23-24)19(22-12-21-18)25-11-15-4-3-7-20-9-15/h3-10,12H,11H2,1-2H3
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n/an/a 5.76E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46367
PNG
(4-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylpheny...)
Show SMILES CSc1ccc(NC(=O)N2CCN(CC2)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C19H20N4OS2/c1-25-15-8-6-14(7-9-15)20-18(24)22-10-12-23(13-11-22)19-21-16-4-2-3-5-17(16)26-19/h2-9H,10-13H2,1H3,(H,20,24)
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n/an/a 5.97E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM39043
PNG
(2-(5-methylpyridin-2-yl)-3-oxidanyl-3H-isoindol-1-...)
Show SMILES Cc1ccc(nc1)N1C(O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12N2O2/c1-9-6-7-12(15-8-9)16-13(17)10-4-2-3-5-11(10)14(16)18/h2-8,13,17H,1H3
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n/an/a 5.98E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46412
PNG
(2-(2-naphthalenyloxy)-N-pyridin-4-ylacetamide | 2-...)
Show SMILES O=C(COc1ccc2ccccc2c1)Nc1ccncc1
Show InChI InChI=1S/C17H14N2O2/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)
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n/an/a 6.11E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46365
PNG
(MLS000531723 | N,4-dimethyl-N-[4-(4-piperonylpiper...)
Show SMILES CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H29N3O5S/c1-20-3-10-24(11-4-20)36(32,33)28(2)23-8-6-22(7-9-23)27(31)30-15-13-29(14-16-30)18-21-5-12-25-26(17-21)35-19-34-25/h3-12,17H,13-16,18-19H2,1-2H3
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n/an/a 6.17E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46347
PNG
(2-(3-ethyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyace...)
Show SMILES CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O
Show InChI InChI=1S/C18H22O5/c1-6-13-11(4)14-7-8-15(12(5)17(14)23-18(13)20)21-9-16(19)22-10(2)3/h7-8,10H,6,9H2,1-5H3
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n/an/a 6.19E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46398
PNG
(MLS000700815 | N-[2-(3-methylphenyl)-1,3-benzoxazo...)
Show SMILES Cc1cccc(c1)-c1nc2cc(NC(=O)C3CCCO3)ccc2o1
Show InChI InChI=1S/C19H18N2O3/c1-12-4-2-5-13(10-12)19-21-15-11-14(7-8-16(15)24-19)20-18(22)17-6-3-9-23-17/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,20,22)
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n/an/a 6.32E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46419
PNG
(MLS000706672 | N-[4-[2-[(5-chloranylpyridin-2-yl)a...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1csc(Nc2ccc(Cl)cn2)n1
Show InChI InChI=1S/C16H13ClN4OS/c1-10(22)19-13-5-2-11(3-6-13)14-9-23-16(20-14)21-15-7-4-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)
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n/an/a 6.34E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46427
PNG
(2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC
Show InChI InChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)
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n/an/a 6.37E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46359
PNG
(1-(6,7-Dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1c2CCCc2nc2ncnn12
Show InChI InChI=1S/C26H26N6O2/c33-24(29-19-9-11-21(12-10-19)34-20-5-2-1-3-6-20)18-13-15-31(16-14-18)25-22-7-4-8-23(22)30-26-27-17-28-32(25)26/h1-3,5-6,9-12,17-18H,4,7-8,13-16H2,(H,29,33)
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n/an/a 6.45E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46392
PNG
(2-[(4-propoxybenzyl)thio]-1H-benzimidazole | 2-[(4...)
Show SMILES CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C17H18N2OS/c1-2-11-20-14-9-7-13(8-10-14)12-21-17-18-15-5-3-4-6-16(15)19-17/h3-10H,2,11-12H2,1H3,(H,18,19)
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n/an/a 6.53E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46354
PNG
(2-(4-bromanyl-3-methyl-phenoxy)-N-pyridin-4-yl-eth...)
Show SMILES Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br
Show InChI InChI=1S/C14H13BrN2O2/c1-10-8-12(2-3-13(10)15)19-9-14(18)17-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,16,17,18)
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n/an/a 6.70E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46338
PNG
(2-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-pi...)
Show SMILES O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20N2O4S2/c23-28(24,15-5-6-17-18(13-15)26-12-11-25-17)22-9-7-14(8-10-22)20-21-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2
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n/an/a 6.73E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46369
PNG
(MLS000522242 | N-[2-(4-chlorobenzyl)-1,3-benzoxazo...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C23H19ClN2O4/c1-28-20-9-5-15(12-21(20)29-2)23(27)25-17-8-10-19-18(13-17)26-22(30-19)11-14-3-6-16(24)7-4-14/h3-10,12-13H,11H2,1-2H3,(H,25,27)
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n/an/a 6.74E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46382
PNG
(2-(4-Chloro-benzyl)-5-phenyl-2H-pyrazol-3-ylamine ...)
Show SMILES Nc1cc(nn1Cc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C16H14ClN3/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11,18H2
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n/an/a 6.76E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM33082
PNG
(1,4-diketo-3-(4-methylbenzyl)naphthalene-2-carboxy...)
Show SMILES CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H18O4/c1-3-25-21(24)18-17(12-14-10-8-13(2)9-11-14)19(22)15-6-4-5-7-16(15)20(18)23/h4-11H,3,12H2,1-2H3
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n/an/a 7.04E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46409
PNG
(3-ethyl-4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol...)
Show SMILES CCC1N(Cc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)CCNC1=O
Show InChI InChI=1S/C23H25N3O2/c1-3-21-22(27)24-13-14-26(21)15-20-16(2)28-23(25-20)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H,24,27)
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n/an/a 7.34E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM42583
PNG
(1-Hydroxy-7,8,9,10-tetrahydro-6H-12-thia-5a,11-dia...)
Show SMILES Oc1cccc2c1sc1nc3CCCCCn3c(=O)c21
Show InChI InChI=1S/C15H14N2O2S/c18-10-6-4-5-9-12-14(20-13(9)10)16-11-7-2-1-3-8-17(11)15(12)19/h4-6,18H,1-3,7-8H2
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n/an/a 7.42E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46342
PNG
(3-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol...)
Show SMILES COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3
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n/an/a 7.58E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46386
PNG
(4-[(2-bromanylphenoxy)methyl]-N-[4-[(3,5-dimethylp...)
Show SMILES Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1
Show InChI InChI=1S/C26H24BrN3O2/c1-18-15-19(2)30(29-18)16-20-9-13-23(14-10-20)28-26(31)22-11-7-21(8-12-22)17-32-25-6-4-3-5-24(25)27/h3-15H,16-17H2,1-2H3,(H,28,31)
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n/an/a 7.64E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46364
PNG
(4-[(4-chlorobenzyl)amino]-2-(2-keto-2-methoxy-ethy...)
Show SMILES CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C20H20ClN3O4S/c1-4-28-20(26)17-11(2)16-18(22-10-12-5-7-13(21)8-6-12)23-14(9-15(25)27-3)24-19(16)29-17/h5-8H,4,9-10H2,1-3H3,(H,22,23,24)
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n/an/a 7.66E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46376
PNG
(2-(2-naphthalenylthio)-N-pyridin-4-ylacetamide | 2...)
Show SMILES O=C(CSc1ccc2ccccc2c1)Nc1ccncc1
Show InChI InChI=1S/C17H14N2OS/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)
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n/an/a 7.66E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37148
PNG
(4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-y...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC2)c2cc(Cl)ccc2C)cc1
Show InChI InChI=1S/C22H28ClN3O4S/c1-16(2)24-31(28,29)20-8-6-19(7-9-20)30-15-22(27)26-12-10-25(11-13-26)21-14-18(23)5-4-17(21)3/h4-9,14,16,24H,10-13,15H2,1-3H3
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n/an/a 7.80E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46380
PNG
(2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benz...)
Show SMILES Oc1c2CCCCc2c(O)n1-c1ccccc1OC(=O)c1ccccc1
Show InChI InChI=1S/C21H19NO4/c23-19-15-10-4-5-11-16(15)20(24)22(19)17-12-6-7-13-18(17)26-21(25)14-8-2-1-3-9-14/h1-3,6-9,12-13,23-24H,4-5,10-11H2
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n/an/a 7.93E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46383
PNG
(6-chloranyl-4-phenyl-3-(1-phenyl-1,2,3,4-tetrazol-...)
Show SMILES Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14ClN5/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(14-24-20)22-25-26-27-28(22)17-9-5-2-6-10-17/h1-14H
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PCBioAssay
n/an/a 8.01E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46387
PNG
(5-[(2,4-dichlorophenoxy)methyl]-3-phenyl-1,2-oxazo...)
Show SMILES Clc1ccc(OCc2cc(no2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2NO2/c17-12-6-7-16(14(18)8-12)20-10-13-9-15(19-21-13)11-4-2-1-3-5-11/h1-9H,10H2
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n/an/a 8.02E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37205
PNG
(4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-1,3-thiaz...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C16H15N3O3S3/c1-19(2)25(21,22)12-7-5-11(6-8-12)15(20)18-16-17-13(10-24-16)14-4-3-9-23-14/h3-10H,1-2H3,(H,17,18,20)
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n/an/a 8.64E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46348
PNG
(MLS000052445 | N-[3-chloranyl-4-[4-(furan-2-ylcarb...)
Show SMILES Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C24H20ClN3O4/c25-18-15-17(26-23(29)22-14-16-4-1-2-5-20(16)32-22)7-8-19(18)27-9-11-28(12-10-27)24(30)21-6-3-13-31-21/h1-8,13-15H,9-12H2,(H,26,29)
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n/an/a 8.95E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46381
PNG
(2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)ph...)
Show SMILES CC1CCc2c(O)n(c(O)c2C1)-c1ccccc1OC(=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4/c1-14-11-12-16-17(13-14)21(25)23(20(16)24)18-9-5-6-10-19(18)27-22(26)15-7-3-2-4-8-15/h2-10,14,24-25H,11-13H2,1H3
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n/an/a 9.22E+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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46420
PNG
(3-bromanyl-6-[3-chloranyl-5-(trifluoromethyl)pyrid...)
Show SMILES Cc1nn2cc(cnc2c1Br)-c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H7BrClF3N4/c1-6-10(14)12-20-3-7(5-22(12)21-6)11-9(15)2-8(4-19-11)13(16,17)18/h2-5H,1H3
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n/an/a 1.14E+4n/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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46353
PNG
(MLS000109474 | N-[4-(1,3-benzoxazol-2-yl)phenyl]-3...)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C22H18N2O4/c1-26-17-11-15(12-18(13-17)27-2)21(25)23-16-9-7-14(8-10-16)22-24-19-5-3-4-6-20(19)28-22/h3-13H,1-2H3,(H,23,25)
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n/an/a 1.64E+4n/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)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%