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Compile Data Set for Download or QSAR

Found 10 hits of ki 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))
BDBM50382460
PNG
(CHEMBL2023985 | US10196373, Compound 27NA)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1
Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)
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PubMed
3.20E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
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PubMed
8.80E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382459
PNG
(CHEMBL2023986 | US10196373, Compound 27NH)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)
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9.50E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
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PubMed
9.70E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
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PubMed
2.20E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382463
PNG
(CHEMBL2023989)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382461
PNG
(CHEMBL2023987 | US10196373, Compound 27KG)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H36N4O8S2/c1-25-3-12-31(13-4-25)49(45,46)38(2)24-35(42)40(30-11-16-33(36(43)44)34(41)21-30)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)50(47,48)32-14-7-26(22-37)8-15-32/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)
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PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382464
PNG
(CHEMBL2024086)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H30N2O8S/c1-19-10-13-22(14-11-19)39(36,37)30(27(35)38-28(2,3)4)18-25(32)29(17-20-8-6-5-7-9-20)21-12-15-23(26(33)34)24(31)16-21/h5-16,31H,17-18H2,1-4H3,(H,33,34)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382462
PNG
(CHEMBL2023988 | US10196373, Compound 27KI)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H38N4O7S/c1-24-3-14-31(15-4-24)48(46,47)38(2)23-34(42)40(30-13-16-32(36(44)45)33(41)21-30)22-25-5-7-26(8-6-25)27-17-19-39(20-18-27)29-11-9-28(10-12-29)35(37)43/h3-16,21,27,41H,17-20,22-23H2,1-2H3,(H2,37,43)(H,44,45)
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PubMed
2.78E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair