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Compile Data Set for Download or QSAR

Found 460 hits Enz. Inhib. hit(s) with Target = 'Transcription Factor STAT1'   
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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20273
PNG
((2S)-2-[(2S)-2-[(4-cyanophenyl)formamido]-3-[4-(ph...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(O)=O
Show InChI InChI=1S/C23H26N3O8P/c1-14(2)11-20(23(29)30)26-22(28)19(25-21(27)17-7-3-16(13-24)4-8-17)12-15-5-9-18(10-6-15)34-35(31,32)33/h3-10,14,19-20H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,31,32,33)/t19-,20-/m0/s1
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n/an/a 3.10E+5n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20274
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC(C)C
Show InChI InChI=1S/C26H33N4O7P/c1-16(2)13-22(25(32)28-17(3)4)30-26(33)23(29-24(31)20-9-5-19(15-27)6-10-20)14-18-7-11-21(12-8-18)37-38(34,35)36/h5-12,16-17,22-23H,13-14H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)(H2,34,35,36)/t22-,23-/m0/s1
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n/an/a 5.80E+4n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1:STAT3 Dimer


(Mus musculus (mouse)-Homo sapiens (human))
BDBM20283
PNG
(2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}ace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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n/an/a 1.60E+5n/an/an/an/a7.822



University of Central Florida College of Medicine



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Proc Natl Acad Sci U S A 104: 7391-6 (2007)


Article DOI: 10.1073/pnas.0609757104
BindingDB Entry DOI: 10.7270/Q25T3HRN
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20283
PNG
(2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}ace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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n/an/a>3.00E+5n/an/an/an/a7.822



University of Central Florida College of Medicine



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Proc Natl Acad Sci U S A 104: 7391-6 (2007)


Article DOI: 10.1073/pnas.0609757104
BindingDB Entry DOI: 10.7270/Q25T3HRN
More data for this
Ligand-Target Pair
Transcription Factor STAT1:STAT3 Dimer


(Mus musculus (mouse)-Homo sapiens (human))
BDBM20282
PNG
(4-{[4-(hexylcarbamoyl)-2-(naphthalen-1-yl)-1,3-oxa...)
Show SMILES CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)
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n/an/a 9.20E+4n/an/an/an/a7.822



University of Central Florida College of Medicine



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


ACS Chem Biol 2: 787-98 (2007)


Article DOI: 10.1021/cb7001973
BindingDB Entry DOI: 10.7270/Q29K48HT
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20282
PNG
(4-{[4-(hexylcarbamoyl)-2-(naphthalen-1-yl)-1,3-oxa...)
Show SMILES CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)
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n/an/a 1.59E+5n/an/an/an/a7.822



University of Central Florida College of Medicine



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


ACS Chem Biol 2: 787-98 (2007)


Article DOI: 10.1021/cb7001973
BindingDB Entry DOI: 10.7270/Q29K48HT
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20281
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H32N5O7P/c1-19(2)15-25(28(36)32-18-22-11-13-31-14-12-22)34-29(37)26(33-27(35)23-7-3-21(17-30)4-8-23)16-20-5-9-24(10-6-20)41-42(38,39)40/h3-14,19,25-26H,15-16,18H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t25-,26-/m0/s1
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n/an/a 1.23E+5n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20280
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-3-me...)
Show SMILES CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H35N4O7P/c1-17(2)13-23(26(33)29-16-18(3)4)31-27(34)24(30-25(32)21-9-5-20(15-28)6-10-21)14-19-7-11-22(12-8-19)38-39(35,36)37/h5-12,17-18,23-24H,13-14,16H2,1-4H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t23-,24-/m0/s1
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n/an/a 7.40E+4n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20279
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-1-[(...)
Show SMILES COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C30H33N4O8P/c1-19(2)15-26(29(36)32-23-5-4-6-25(17-23)41-3)34-30(37)27(33-28(35)22-11-7-21(18-31)8-12-22)16-20-9-13-24(14-10-20)42-43(38,39)40/h4-14,17,19,26-27H,15-16H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t26-,27-/m0/s1
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n/an/a 3.10E+4n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20278
PNG
(4-[(2S)-2-{[(1S)-1-(benzylcarbamoyl)-3-methylbutyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H33N4O7P/c1-20(2)16-26(29(36)32-19-23-6-4-3-5-7-23)34-30(37)27(33-28(35)24-12-8-22(18-31)9-13-24)17-21-10-14-25(15-11-21)41-42(38,39)40/h3-15,20,26-27H,16-17,19H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t26-,27-/m0/s1
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n/an/a 8.00E+5n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20277
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-3-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H31N4O7P/c1-19(2)16-25(28(35)31-23-6-4-3-5-7-23)33-29(36)26(32-27(34)22-12-8-21(18-30)9-13-22)17-20-10-14-24(15-11-20)40-41(37,38)39/h3-15,19,25-26H,16-17H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t25-,26-/m0/s1
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n/an/a 3.10E+5n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20275
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-1-[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCCCO
Show InChI InChI=1S/C26H33N4O8P/c1-17(2)14-22(25(33)28-12-3-13-31)30-26(34)23(29-24(32)20-8-4-19(16-27)5-9-20)15-18-6-10-21(11-7-18)38-39(35,36)37/h4-11,17,22-23,31H,3,12-15H2,1-2H3,(H,28,33)(H,29,32)(H,30,34)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 6.20E+5n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM20276
PNG
(4-[(2S)-2-[(4-cyanophenyl)formamido]-2-{[(1S)-1-(c...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H37N4O7P/c1-19(2)16-25(28(35)31-23-6-4-3-5-7-23)33-29(36)26(32-27(34)22-12-8-21(18-30)9-13-22)17-20-10-14-24(15-11-20)40-41(37,38)39/h8-15,19,23,25-26H,3-7,16-17H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t25-,26-/m0/s1
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n/an/a 5.80E+4n/an/an/an/a7.822



Yale University



Assay Description
STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with ...


Bioorg Med Chem Lett 17: 1875-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.077
BindingDB Entry DOI: 10.7270/Q2FB517J
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50382460
PNG
(CHEMBL2023985)
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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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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50353444
PNG
(CHEMBL1829870)
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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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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50382459
PNG
(CHEMBL2023986)
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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50353445
PNG
(CHEMBL1829862)
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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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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50353435
PNG
(CHEMBL1829874)
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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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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50382461
PNG
(CHEMBL2023987)
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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>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
Transcription Factor STAT1


(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
Transcription Factor STAT1


(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
Transcription Factor STAT1


(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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50382462
PNG
(CHEMBL2023988)
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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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
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50440926
PNG
(CHEMBL2431955)
Show SMILES OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C36H30F8N2O6S/c37-29-30(38)32(40)34(33(41)31(29)39)53(51,52)45(18-23-8-4-5-9-26(23)36(42,43)44)19-28(48)46(24-14-15-25(35(49)50)27(47)16-24)17-20-10-12-22(13-11-20)21-6-2-1-3-7-21/h4-5,8-16,21,47H,1-3,6-7,17-19H2,(H,49,50)
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity to Stat1 (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after 30 mins by fluorescenc...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM50440967
PNG
(CHEMBL2431993)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C37H37F3N2O6S/c1-25-11-18-31(19-12-25)49(47,48)41(23-29-9-5-6-10-33(29)37(38,39)40)24-35(44)42(30-17-20-32(36(45)46)34(43)21-30)22-26-13-15-28(16-14-26)27-7-3-2-4-8-27/h5-6,9-21,27,43H,2-4,7-8,22-24H2,1H3,(H,45,46)
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity to Stat1 (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after 30 mins by fluorescenc...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43501
PNG
(3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)
Show SMILES COCC(C)NC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H22F3N3O5S/c1-12(11-29-2)23-17(26)8-9-31(27,28)18-24-15(10-16(25-18)19(20,21)22)13-4-6-14(30-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,26)
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43502
PNG
(2-furanyl-[4-(5H-pyrimido[5,4-b]indol-4-yl)-1-pipe...)
Show SMILES O=C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccco1
Show InChI InChI=1S/C19H17N5O2/c25-19(15-6-3-11-26-15)24-9-7-23(8-10-24)18-17-16(20-12-21-18)13-4-1-2-5-14(13)22-17/h1-6,11-12,22H,7-10H2
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n/an/a 1.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43503
PNG
(4-(4-benzylpiperazin-1-yl)-8-methyl-5H-pyrimido[5,...)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N5/c1-16-7-8-19-18(13-16)20-21(25-19)22(24-15-23-20)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM36898
PNG
(MLS000078404 | SMR000040621 | [4-(8-bromanyl-5H-py...)
Show SMILES Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H16BrN5O2/c20-12-3-4-14-13(10-12)16-17(23-14)18(22-11-21-16)24-5-7-25(8-6-24)19(26)15-2-1-9-27-15/h1-4,9-11,23H,5-8H2
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n/an/a 2.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM36973
PNG
(1-[[5-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-...)
Show SMILES Cc1ccc(cc1)-c1csc2ncnc(Sc3nnc(CN4CCCCCC4=O)o3)c12
Show InChI InChI=1S/C22H21N5O2S2/c1-14-6-8-15(9-7-14)16-12-30-20-19(16)21(24-13-23-20)31-22-26-25-17(29-22)11-27-10-4-2-3-5-18(27)28/h6-9,12-13H,2-5,10-11H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM38079
PNG
(5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfan...)
Show SMILES Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3
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n/an/a 4.73E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43504
PNG
(5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitr...)
Show SMILES Cc1ccccc1-c1noc(N)c1C#N
Show InChI InChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM31063
PNG
(2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
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n/an/a 9.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a>1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43505
PNG
(4-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]p...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-2-30-22(29)25-13-11-24(12-14-25)19(27)15-7-9-16(10-8-15)26-20(28)17-5-3-4-6-18(17)23-21(26)31/h3-10H,2,11-14H2,1H3,(H,23,31)
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n/an/a 3.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM38996
PNG
(MLS000086269 | N-(5-methyl-1,2-oxazol-3-yl)-4-[4-t...)
Show SMILES Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)no1
Show InChI InChI=1S/C17H15F3N4O4S2/c1-10-8-14(24-28-10)23-15(25)5-3-7-30(26,27)16-21-11(12-4-2-6-29-12)9-13(22-16)17(18,19)20/h2,4,6,8-9H,3,5,7H2,1H3,(H,23,24,25)
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n/an/a 1.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43506
PNG
(3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C16H15F3N2O4S/c1-2-25-14(22)8-9-26(23,24)15-20-12(11-6-4-3-5-7-11)10-13(21-15)16(17,18)19/h3-7,10H,2,8-9H2,1H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43507
PNG
(4-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-p...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3
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n/an/a>6.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM37480
PNG
(5-ethyl-2-(pyrrolidine-1-carbonyl)thieno[3,2-c]qui...)
Show SMILES CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1
Show InChI InChI=1S/C18H18N2O2S/c1-2-20-14-8-4-3-7-12(14)16-13(17(20)21)11-15(23-16)18(22)19-9-5-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43508
PNG
(MLS000526191 | N-[1-(4-Methyl-6-oxo-6H-pyrimidin-1...)
Show SMILES Cc1cc(=O)n(cn1)C(NC(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)
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n/an/a 9.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43509
PNG
(2-mesyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-10-6-4-3-5-8(10)9-7-11(13(14,15)16)18-12(17-9)22(2,19)20/h3-7H,1-2H3
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n/an/a>1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43510
PNG
(3-[oxo(1-pyrrolidinyl)methyl]-5-(phenylmethyl)-6-b...)
Show SMILES O=C(N1CCCC1)c1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H22N2O2S/c28-24(26-14-6-7-15-26)19-12-13-23-21(16-19)27(17-18-8-2-1-3-9-18)25(29)20-10-4-5-11-22(20)30-23/h1-5,8-13,16H,6-7,14-15,17H2
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n/an/a 8.43E+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/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43511
PNG
(2-[[(5-methyl-2-phenyl-3-pyrazolyl)amino]methylide...)
Show SMILES CCOC(=O)C(C=Nc1cc(C)nn1-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C18H21N3O4/c1-4-24-17(22)15(18(23)25-5-2)12-19-16-11-13(3)20-21(16)14-9-7-6-8-10-14/h6-12,15H,4-5H2,1-3H3
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n/an/a 6.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43512
PNG
(3-(3,4-dimethylphenyl)-4-keto-phthalazine-1-carbox...)
Show SMILES Cc1ccc(cc1C)-n1nc(C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C17H14N2O3/c1-10-7-8-12(9-11(10)2)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)22/h3-9H,1-2H3,(H,21,22)
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n/an/a 5.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43513
PNG
(3-(4-Phenyl-6-trifluoromethyl-pyrimidine-2-sulfony...)
Show SMILES COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-24-13(21)7-8-25(22,23)14-19-11(10-5-3-2-4-6-10)9-12(20-14)15(16,17)18/h2-6,9H,7-8H2,1H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43514
PNG
(3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-8-pyrido[1...)
Show SMILES CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3
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n/an/a 2.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43515
PNG
(5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-ca...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)-c1noc(N)c1C#N
Show InChI InChI=1S/C16H19N3O4/c1-4-20-12-7-10(14-11(9-17)16(18)23-19-14)8-13(21-5-2)15(12)22-6-3/h7-8H,4-6,18H2,1-3H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43516
PNG
(3-(anilinosulfonyl)-4-methyl-N-{3-[methyl(methylsu...)
Show SMILES CN(c1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccccc2)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N3O5S2/c1-16-12-13-17(14-21(16)32(29,30)24-18-8-5-4-6-9-18)22(26)23-19-10-7-11-20(15-19)25(2)31(3,27)28/h4-15,24H,1-3H3,(H,23,26)
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n/an/a 2.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43517
PNG
(Isonicotinic acid N'-(1,3-diethyl-4,6-dioxo-2-...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=CNNC(=O)c2ccncc2)C1=O
Show InChI InChI=1S/C15H17N5O3S/c1-3-19-13(22)11(14(23)20(4-2)15(19)24)9-17-18-12(21)10-5-7-16-8-6-10/h5-9,17H,3-4H2,1-2H3,(H,18,21)
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n/an/a 4.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (human))
BDBM43518
PNG
(2-[(E)-1-(benzenesulfonyl)-2-(3-methylphenyl)ethen...)
Show SMILES Cc1cccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
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