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Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with all data for entry = 4024   
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 1-alpha/beta


(Homo sapiens (Human))
BDBM43545
PNG
((3-Cyano-indol-1-yl)-acetic acid | 2-(3-cyano-1-in...)
Show SMILES OC(=O)Cn1cc(C#N)c2ccccc12
Show InChI InChI=1S/C11H8N2O2/c12-5-8-6-13(7-11(14)15)10-4-2-1-3-9(8)10/h1-4,6H,7H2,(H,14,15)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43548
PNG
(5-(1H-Indol-3-ylmethyl)-[1,3,4]thiadiazol-2-ylamin...)
Show SMILES Nc1nnc(Cc2c[nH]c3ccccc23)s1
Show InChI InChI=1S/C11H10N4S/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43549
PNG
(3-(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-ylami...)
Show SMILES CCc1cc2c(NCCC(O)=O)nc(C)nc2s1
Show InChI InChI=1S/C12H15N3O2S/c1-3-8-6-9-11(13-5-4-10(16)17)14-7(2)15-12(9)18-8/h6H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43552
PNG
(MLS000027654 | N-(1H-indol-3-ylmethyl)-N-methyl-1-...)
Show SMILES CN(Cc1c[nH]c2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C17H18N2/c1-19(12-14-7-3-2-4-8-14)13-15-11-18-17-10-6-5-9-16(15)17/h2-11,18H,12-13H2,1H3
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43556
PNG
(2-[2-(dimethylamino)-2-(1-methyl-3-indolyl)ethyl]-...)
Show SMILES CN(C)C(CN1C(=O)C2CC=CCC2C1=O)c1cn(C)c2ccccc12 |c:10|
Show InChI InChI=1S/C21H25N3O2/c1-22(2)19(17-12-23(3)18-11-7-6-8-14(17)18)13-24-20(25)15-9-4-5-10-16(15)21(24)26/h4-8,11-12,15-16,19H,9-10,13H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43558
PNG
((6E)-2-methoxy-6-[4-(2-methyl-1-piperidinyl)-1H-qu...)
Show SMILES COc1cccc(c1O)-c1nc(N2CCCCC2C)c2ccccc2n1
Show InChI InChI=1S/C21H23N3O2/c1-14-8-5-6-13-24(14)21-15-9-3-4-11-17(15)22-20(23-21)16-10-7-12-18(26-2)19(16)25/h3-4,7,9-12,14,25H,5-6,8,13H2,1-2H3
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM30793
PNG
(4-acetyl-N-(2-methoxy-5-methyl-phenyl)-3,5-dimethy...)
Show SMILES COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
Show InChI InChI=1S/C17H20N2O3/c1-9-6-7-14(22-5)13(8-9)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-8,18H,1-5H3,(H,19,21)
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43561
PNG
(7-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiaz...)
Show SMILES CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1
Show InChI InChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-13-9-15(20)18-6-7-21-16(18)17-13/h2-7,9,11H,8,10H2,1H3
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43562
PNG
(2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl...)
Show SMILES CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1
Show InChI InChI=1S/C12H12N6S3/c1-2-8-19-11-14-15-12(21-11)20-10-13-16-17-18(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43563
PNG
(4-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmet...)
Show SMILES O=C(CCCSc1nc2ccccc2s1)NCc1ccco1
Show InChI InChI=1S/C16H16N2O2S2/c19-15(17-11-12-5-3-9-20-12)8-4-10-21-16-18-13-6-1-2-7-14(13)22-16/h1-3,5-7,9H,4,8,10-11H2,(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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43564
PNG
(2-[5-amino-1-(4-chlorophenyl)-3-methyl-4-pyrazolyl...)
Show SMILES Cc1nn(c(N)c1C(O)(CSc1nccn1C)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClF3N5OS/c1-10-13(14(22)26(24-10)12-5-3-11(18)4-6-12)16(27,17(19,20)21)9-28-15-23-7-8-25(15)2/h3-8,27H,9,22H2,1-2H3
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Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43567
PNG
(3-(1H-indol-3-yl)-1-keto-N-[3-(2-ketopyrrolidino)p...)
Show SMILES CN1C(C(C(=O)NCCCN2CCCC2=O)c2ccccc2C1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H28N4O3/c1-29-24(20-16-28-21-11-5-4-8-17(20)21)23(18-9-2-3-10-19(18)26(29)33)25(32)27-13-7-15-30-14-6-12-22(30)31/h2-5,8-11,16,23-24,28H,6-7,12-15H2,1H3,(H,27,32)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43570
PNG
(1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-3-(2-phe...)
Show SMILES CC1CCN(CC1)C(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C24H27N3O3/c1-18-11-14-25(15-12-18)22(28)17-27-21-10-6-5-9-20(21)23(29)26(24(27)30)16-13-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43572
PNG
((4'-amino-3,3'-diethoxy-4-biphenylyl)amine...)
Show SMILES CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1
Show InChI InChI=1S/C16H20N2O2/c1-3-19-15-9-11(5-7-13(15)17)12-6-8-14(18)16(10-12)20-4-2/h5-10H,3-4,17-18H2,1-2H3
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM40067
PNG
(MLS000062293 | N-(2-pyridinyl)-2-thiophen-2-ylacet...)
Show SMILES O=C(Cc1cccs1)Nc1ccccn1
Show InChI InChI=1S/C11H10N2OS/c14-11(8-9-4-3-7-15-9)13-10-5-1-2-6-12-10/h1-7H,8H2,(H,12,13,14)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43574
PNG
((6E)-3-(3,5-dimethyl-1-pyrazolyl)-6-(3-indolyliden...)
Show SMILES Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12 |c:14|
Show InChI InChI=1S/C17H15N7S/c1-10-7-11(2)23(21-10)16-19-20-17-24(16)22-15(9-25-17)13-8-18-14-6-4-3-5-12(13)14/h3-8,18H,9H2,1-2H3
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43576
PNG
(3-(4-chlorophenyl)-N-(3-methoxypropyl)-1-methyl-5-...)
Show SMILES COCCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN3O2S/c1-21-17-13(15(20-21)11-4-6-12(18)7-5-11)10-14(24-17)16(22)19-8-3-9-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43579
PNG
(3-(4-chlorophenyl)-1-methyl-N-(2-oxolanylmethyl)-5...)
Show SMILES Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCC1CCCO1
Show InChI InChI=1S/C18H18ClN3O2S/c1-22-18-14(16(21-22)11-4-6-12(19)7-5-11)9-15(25-18)17(23)20-10-13-3-2-8-24-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,23)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43580
PNG
(5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3cccnc3)c(C)c2c1
Show InChI InChI=1S/C23H27N3O4S/c1-15-9-16(2)14-26(13-15)31(28,29)19-6-7-21-20(10-19)17(3)22(30-21)23(27)25-12-18-5-4-8-24-11-18/h4-8,10-11,15-16H,9,12-14H2,1-3H3,(H,25,27)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43582
PNG
(3-(4-chlorophenyl)-N-(2-methoxyethyl)-1-methyl-5-t...)
Show SMILES COCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN3O2S/c1-20-16-12(9-13(23-16)15(21)18-7-8-22-2)14(19-20)10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,18,21)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM37164
PNG
((E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-...)
Show SMILES CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C16H19N3O3S/c1-12-16(15(22-17-12)9-10-18(2)3)23(20,21)19-11-8-13-6-4-5-7-14(13)19/h4-7,9-10H,8,11H2,1-3H3/b10-9+
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43587
PNG
(3-(4-chlorophenyl)-1-methyl-N-(3-pyrrolidin-1-ylpr...)
Show SMILES Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C20H23ClN4OS/c1-24-20-16(18(23-24)14-5-7-15(21)8-6-14)13-17(27-20)19(26)22-9-4-12-25-10-2-3-11-25/h5-8,13H,2-4,9-12H2,1H3,(H,22,26)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43588
PNG
(MLS000117278 | N,N-diethyl-4-(8-methyl-[1,2,4]tria...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)-c1nnc2sc3cccc(C)c3n12
Show InChI InChI=1S/C19H20N4O2S2/c1-4-22(5-2)27(24,25)15-11-9-14(10-12-15)18-20-21-19-23(18)17-13(3)7-6-8-16(17)26-19/h6-12H,4-5H2,1-3H3
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43591
PNG
(3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-yleth...)
Show SMILES Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H21ClN4O2S/c1-23-19-15(17(22-23)13-2-4-14(20)5-3-13)12-16(27-19)18(25)21-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43593
PNG
(MLS000101498 | SMR000017778 | cid_4454085)
Show SMILES CCOC(=O)CC1N(CCNC1=O)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1
Show InChI InChI=1S/C20H20N4O5S/c1-3-29-15(25)10-13-17(26)21-6-8-23(13)20(28)14-9-12-18(30-14)22-16-11(2)5-4-7-24(16)19(12)27/h4-5,7,9,13H,3,6,8,10H2,1-2H3,(H,21,26)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43594
PNG
(2,3-dihydroindol-1-yl(3-pyridinyl)methanone | 2,3-...)
Show SMILES O=C(N1CCc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H12N2O/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16/h1-6,8,10H,7,9H2
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43596
PNG
((3Z)-3-[2-keto-2-(2-thienyl)ethylidene]-7-methyl-o...)
Show SMILES Cc1cccc2\C(=C\C(=O)c3cccs3)C(=O)Nc12
Show InChI InChI=1S/C15H11NO2S/c1-9-4-2-5-10-11(15(18)16-14(9)10)8-12(17)13-6-3-7-19-13/h2-8H,1H3,(H,16,18)/b11-8-
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43598
PNG
(MLS000521607 | N-(1,3-benzothiazol-2-yl)-3,4-dimet...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C15H14N2O4S2/c1-20-12-8-7-10(9-13(12)21-2)23(18,19)17-15-16-11-5-3-4-6-14(11)22-15/h3-9H,1-2H3,(H,16,17)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43600
PNG
(1-(5-bromanylpyridin-2-yl)-3-(5-chloranyl-2-methox...)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H11BrClN3O2/c1-20-11-4-3-9(15)6-10(11)17-13(19)18-12-5-2-8(14)7-16-12/h2-7H,1H3,(H2,16,17,18,19)
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43601
PNG
(1-(3-bromo-4-methoxy-benzyl)-4-tosyl-piperazine | ...)
Show SMILES COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1Br
Show InChI InChI=1S/C19H23BrN2O3S/c1-15-3-6-17(7-4-15)26(23,24)22-11-9-21(10-12-22)14-16-5-8-19(25-2)18(20)13-16/h3-8,13H,9-12,14H2,1-2H3
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43602
PNG
(MLS000520930 | N-(1H-indol-3-ylmethyl)cycloheptana...)
Show SMILES C(NC1CCCCCC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H22N2/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17-18H,1-4,7-8,11H2
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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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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/Q2HM56V2
More data for this
Ligand-Target Pair
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