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Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with all data for entry = 4022   
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
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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Assay Description
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43647
PNG
((4E)-4-(1H-indol-2-ylmethylene)-5-methyl-2-phenyl-...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=c2ccccc2=N1 |w:13.14,c:24,t:17|
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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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BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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

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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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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

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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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43555
PNG
(2-(4-methyl-2-quinazolinyl)-1-phenylguanidine | 2-...)
Show SMILES Cc1nc(NC(N)=Nc2ccccc2)nc2ccccc12 |w:7.7|
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43656
PNG
(MLS001017628 | N-(5-cyclopropyl-1,3,4-thiadiazol-2...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C15H14N4OS/c20-13(17-15-19-18-14(21-15)9-5-6-9)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8-9,16H,5-7H2,(H,17,19,20)
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n/an/a 2.98E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43615
PNG
(2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N-p...)
Show SMILES CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12
Show InChI InChI=1S/C16H18N4O2/c1-3-8-17-15(22)10-19-13-7-5-4-6-12(13)16-18-14(21)9-11(2)20(16)19/h4-7,9H,3,8,10H2,1-2H3,(H,17,22)
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n/an/a 3.33E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43550
PNG
(1H-indazole-3-carboxylic acid methyl ester | MLS00...)
Show SMILES COC(=O)c1n[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)
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n/an/a 3.33E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43557
PNG
(2-methyl-3-quinolinol | 2-methylquinolin-3-ol | ML...)
Show SMILES Cc1nc2ccccc2cc1O
Show InChI InChI=1S/C10H9NO/c1-7-10(12)6-8-4-2-3-5-9(8)11-7/h2-6,12H,1H3
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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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43646
PNG
(1-(4-methyl-1-piperazinyl)-2-[2-nitro-4-(trifluoro...)
Show SMILES CN1CCN(CC1)C(=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C14H17F3N4O3/c1-19-4-6-20(7-5-19)13(22)9-18-11-3-2-10(14(15,16)17)8-12(11)21(23)24/h2-3,8,18H,4-7,9H2,1H3
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n/an/a 3.56E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43585
PNG
(3-(4-chlorophenyl)-1-methyl-N-[3-(4-methyl-1-piper...)
Show SMILES CN1CCN(CCCNC(=O)c2cc3c(nn(C)c3s2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H26ClN5OS/c1-25-10-12-27(13-11-25)9-3-8-23-20(28)18-14-17-19(24-26(2)21(17)29-18)15-4-6-16(22)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,23,28)
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n/an/a 3.78E+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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43637
PNG
(2-methyl-6-[1-(2-methylphenyl)-1,3,4,9-tetrahydrop...)
Show SMILES Cc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(=O)n(C)n1
Show InChI InChI=1S/C24H22N4O2/c1-15-7-3-4-8-16(15)23-22-18(17-9-5-6-10-19(17)25-22)13-14-28(23)24(30)20-11-12-21(29)27(2)26-20/h3-12,23,25H,13-14H2,1-2H3
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n/an/a 4.19E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43622
PNG
(6-[1-(2-chloro-6-fluoro-phenyl)-1,3,4,9-tetrahydro...)
Show SMILES CN1N=C(CCC1=O)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl |c:2|
Show InChI InChI=1S/C23H20ClFN4O2/c1-28-19(30)10-9-18(27-28)23(31)29-12-11-14-13-5-2-3-8-17(13)26-21(14)22(29)20-15(24)6-4-7-16(20)25/h2-8,22,26H,9-12H2,1H3
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n/an/a 4.82E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM41646
PNG
(MLS000098950 | N-(1H-benzimidazol-2-yl)-2-(1H-indo...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)
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n/an/a 4.98E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43547
PNG
((3-Cyano-2-methyl-indol-1-yl)-acetic acid | 2-(3-c...)
Show SMILES Cc1c(C#N)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C12H10N2O2/c1-8-10(6-13)9-4-2-3-5-11(9)14(8)7-12(15)16/h2-5H,7H2,1H3,(H,15,16)
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n/an/a 5.10E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43640
PNG
(1-(2-fluoro-4-methoxyphenyl)-2-(pyrazolo[1,5-a]pyr...)
Show SMILES COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2cc3ncccn3n2)c(F)c1
Show InChI InChI=1S/C25H20FN5O2/c1-33-15-7-8-18(19(26)13-15)24-23-17(16-5-2-3-6-20(16)28-23)9-12-30(24)25(32)21-14-22-27-10-4-11-31(22)29-21/h2-8,10-11,13-14,24,28H,9,12H2,1H3
UniProtKB/SwissProt

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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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43553
PNG
(3-(2-furanylmethyl)-4-quinazolinone | 3-(2-furfury...)
Show SMILES O=c1n(Cc2ccco2)cnc2ccccc12
Show InChI InChI=1S/C13H10N2O2/c16-13-11-5-1-2-6-12(11)14-9-15(13)8-10-4-3-7-17-10/h1-7,9H,8H2
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n/an/a 5.66E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43573
PNG
(6-({[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)pheny...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 |c:5|
Show InChI InChI=1S/C23H24N2O5S/c26-22(19-8-2-3-9-20(19)23(27)28)24-17-11-13-18(14-12-17)31(29,30)25-15-5-7-16-6-1-4-10-21(16)25/h1-4,6,10-14,19-20H,5,7-9,15H2,(H,24,26)(H,27,28)
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n/an/a 5.67E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43571
PNG
(2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][...)
Show SMILES COc1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1
Show InChI InChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-17-20(19-16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3
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n/an/a 5.80E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43612
PNG
(3-cyclohexyl-2-methyl-benzo[f]benzimidazole-4,9-di...)
Show SMILES Cc1nc2c(C(=O)c3ccccc3C2=O)n1C1CCCCC1
Show InChI InChI=1S/C18H18N2O2/c1-11-19-15-16(20(11)12-7-3-2-4-8-12)18(22)14-10-6-5-9-13(14)17(15)21/h5-6,9-10,12H,2-4,7-8H2,1H3
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n/an/a 5.81E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43613
PNG
(2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarb...)
Show SMILES Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C13H10ClN3/c1-8-6-11(12(7-15)13(16)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H2,16,17)
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n/an/a 5.90E+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/Q2S46QBK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43633
PNG
(MLS000679832 | N-(o-anisoylamino)carbamic acid met...)
Show SMILES COC(=O)NNC(=O)c1ccccc1OC
Show InChI InChI=1S/C10H12N2O4/c1-15-8-6-4-3-5-7(8)9(13)11-12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
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n/an/a 6.03E+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)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
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