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Compile Data Set for Download or QSAR

Found 135 hits of ec50 for UniProtKB: P42224   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50131053
PNG
(10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...)
Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1
Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3
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n/an/an/an/a<2.83n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM68332
PNG
(7-(4-fluorophenyl)-5-methyl-3-phenyl-pyrazolo[1,5-...)
Show SMILES Cc1cc(-c2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C19H14FN3/c1-13-11-18(15-7-9-16(20)10-8-15)23-19(22-13)17(12-21-23)14-5-3-2-4-6-14/h2-12H,1H3
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n/an/an/an/a 64.3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43676
PNG
(MLS000065715 | N-(1,3-benzothiazol-2-yl)-5-methyl-...)
Show SMILES Cc1ccc(s1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C13H10N2OS2/c1-8-6-7-11(17-8)12(16)15-13-14-9-4-2-3-5-10(9)18-13/h2-7H,1H3,(H,14,15,16)
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n/an/an/an/a>76.4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM68333
PNG
(5-methyl-3-phenyl-7-(4-pyridyl)pyrazolo[1,5-a]pyri...)
Show SMILES Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C18H14N4/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14/h2-12H,1H3
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n/an/an/an/a>229n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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n/an/an/an/a>688n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM68331
PNG
(N-(1,3-benzothiazol-2-yl)-1-benzothiophene-2-carbo...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C16H10N2OS2/c19-15(14-9-10-5-1-3-7-12(10)20-14)18-16-17-11-6-2-4-8-13(11)21-16/h1-9H,(H,17,18,19)
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n/an/an/an/a 835n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43697
PNG
(3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfany...)
Show SMILES COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S
Show InChI InChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-7-20-13(15-10)16-11(17)6-14-12(16)19/h2-7,17H,1H3,(H,14,19)
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n/an/an/an/a 2.01E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43686
PNG
((E)-2-cyano-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2...)
Show SMILES CCOC(=O)C(=C\c1cc(C)n(c1C)-c1ccccc1)\C#N
Show InChI InChI=1S/C18H18N2O2/c1-4-22-18(21)16(12-19)11-15-10-13(2)20(14(15)3)17-8-6-5-7-9-17/h5-11H,4H2,1-3H3/b16-11+
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n/an/an/an/a 3.31E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43736
PNG
(7-(4-methoxyphenyl)-5-methyl-3-phenyl-pyrazolo[1,5...)
Show SMILES COc1ccc(cc1)-c1cc(C)nc2c(cnn12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O/c1-14-12-19(16-8-10-17(24-2)11-9-16)23-20(22-14)18(13-21-23)15-6-4-3-5-7-15/h3-13H,1-2H3
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n/an/an/an/a 4.04E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM30718
PNG
(7-(diethylamino)-2-keto-N-(2-pyridyl)chromene-3-ca...)
Show SMILES CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
Show InChI InChI=1S/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23)
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n/an/an/an/a 1.00E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
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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n/an/an/an/a 2.16E+4n/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/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43723
PNG
((E)-1-(4-bromophenyl)-3-(2-fluoroanilino)-2-propen...)
Show SMILES Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1 |w:7.7|
Show InChI InChI=1S/C15H11BrFNO/c16-12-7-5-11(6-8-12)15(19)9-10-18-14-4-2-1-3-13(14)17/h1-8,10H,9H2
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n/an/an/an/a>5.57E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43694
PNG
(MLS000578308 | N-[4-(1,3-benzothiazol-2-yl)phenyl]...)
Show SMILES Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1
Show InChI InChI=1S/C18H14N4OS3/c1-11-21-22-18(25-11)24-10-16(23)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)26-17/h2-9H,10H2,1H3,(H,19,23)
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n/an/an/an/a>5.57E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43706
PNG
(MLS000392562 | N-[(3-cyano-5,6,7,8-tetrahydro-4H-c...)
Show SMILES CC(=O)NC(=S)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C13H15N3OS2/c1-8(17)15-13(18)16-12-10(7-14)9-5-3-2-4-6-11(9)19-12/h2-6H2,1H3,(H2,15,16,17,18)
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n/an/an/an/a>5.57E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2R49P7N
More data for this
Ligand-Target Pair
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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n/an/an/an/a>5.57E+4n/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/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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n/an/an/an/a>5.57E+4n/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/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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n/an/an/an/a>5.57E+4n/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/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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n/an/an/an/a>5.57E+4n/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/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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n/an/an/an/a>5.57E+4n/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/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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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))
BDBM43551
PNG
(2-(1H-indol-3-ylsulfanyl)acetamide | 2-(1H-indol-3...)
Show SMILES NC(=O)CSc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H10N2OS/c11-10(13)6-14-9-5-12-8-4-2-1-3-7(8)9/h1-5,12H,6H2,(H2,11,13)
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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))
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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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))
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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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))
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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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))
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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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))
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

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))
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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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))
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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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))
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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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))
BDBM43559
PNG
(3-amino-4-(1,3-benzothiazol-2-yl)-5-(2-furanylmeth...)
Show SMILES CCOC(=O)c1sc(NCc2ccco2)c(c1N)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H17N3O3S2/c1-2-24-19(23)16-15(20)14(17(27-16)21-10-11-6-5-9-25-11)18-22-12-7-3-4-8-13(12)26-18/h3-9,21H,2,10,20H2,1H3
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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))
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/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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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))
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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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))
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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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))
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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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))
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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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))
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))
BDBM40021
PNG
(MLS000092893 | N-(5-chloranyl-2-methoxy-phenyl)-2,...)
Show SMILES COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C
Show InChI InChI=1S/C13H13ClN2O3/c1-7-12(19-8(2)15-7)13(17)16-10-6-9(14)4-5-11(10)18-3/h4-6H,1-3H3,(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))
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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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))
BDBM43568
PNG
(MLS000090510 | N-[2-(1H-indol-3-ylsulfanyl)ethyl]p...)
Show SMILES CCC(=O)NCCSc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-2-13(16)14-7-8-17-12-9-15-11-6-4-3-5-10(11)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
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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))
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))
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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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))
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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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
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