Compile Data Set for Download or QSAR
Found 505 Enz. Inhib. hit(s) with all data for entry = 644
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284964(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]metha...)
Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H16N2O3S/c1-19-11-16(14-8-3-4-9-15(14)17(19)20)12-6-5-7-13(10-12)18-23(2,21)22/h3-11,18H,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284967(4-[3-(dimethylsulfamoylamino)phenyl]- 2-methyl-1-o...)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H19N3O3S/c1-20(2)25(23,24)19-14-8-6-7-13(11-14)17-12-21(3)18(22)16-10-5-4-9-15(16)17/h4-12,19H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284968(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]ethan...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-3-24(22,23)19-14-8-6-7-13(11-14)17-12-20(2)18(21)16-10-5-4-9-15(16)17/h4-12,19H,3H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284972(N-[2-methyl-5-(2-methyl-1-oxoiso- quinolin-4-yl)ph...)
Show SMILES Cc1ccc(cc1NS(C)(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-12-8-9-13(10-17(12)19-24(3,22)23)16-11-20(2)18(21)15-7-5-4-6-14(15)16/h4-11,19H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284983(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]propa...)
Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C19H20N2O3S/c1-3-11-25(23,24)20-15-8-6-7-14(12-15)18-13-21(2)19(22)17-10-5-4-9-16(17)18/h4-10,12-13,20H,3,11H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284984(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]butan...)
Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H22N2O3S/c1-3-4-12-26(24,25)21-16-9-7-8-15(13-16)19-14-22(2)20(23)18-11-6-5-10-17(18)19/h5-11,13-14,21H,3-4,12H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284985(N-[2-methoxy-5-(2-methyl-1-oxoiso- quinolin-4-yl)p...)
Show SMILES COc1ccc(cc1NS(C)(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O4S/c1-20-11-15(13-6-4-5-7-14(13)18(20)21)12-8-9-17(24-2)16(10-12)19-25(3,22)23/h4-11,19H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284988(N-methyl-N-[3-(2-methyl-1-oxoiso- quinolin-4-yl)ph...)
Show SMILES CN(c1cccc(c1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O3S/c1-19-12-17(15-9-4-5-10-16(15)18(19)21)13-7-6-8-14(11-13)20(2)24(3,22)23/h4-12H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284989(N-[4-fluoro-3-(2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-15(12-5-3-4-6-13(12)17(20)21)14-9-11(7-8-16(14)18)19-24(2,22)23/h3-10,19H,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284992(N-[2-fluoro-5-(2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2ccc(F)c(NS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-14(12-5-3-4-6-13(12)17(20)21)11-7-8-15(18)16(9-11)19-24(2,22)23/h3-10,19H,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284993(N-[4-chloro-3-(2-methyl-1-oxoisoquinolin- 4-yl)phe...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Cl)c2ccccc2c1=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-20-10-15(12-5-3-4-6-13(12)17(20)21)14-9-11(7-8-16(14)18)19-24(2,22)23/h3-10,19H,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284994(N-[4-methyl-3-(2-methyl-1-oxoisoquinolin- 4-yl)phe...)
Show SMILES Cc1ccc(NS(C)(=O)=O)cc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-12-8-9-13(19-24(3,22)23)10-16(12)17-11-20(2)18(21)15-7-5-4-6-14(15)17/h4-11,19H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285282(1,3-dimethyl-5-[3-methylsulfonyl-5-(pyridin-2- ylm...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2ccccn2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H20N2O4S/c1-14-8-16(12-22(2)20(14)23)15-9-18(11-19(10-15)27(3,24)25)26-13-17-6-4-5-7-21-17/h4-12H,13H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285283(5-[3-[(2,6-dimethylphenyl)methoxy]-5- methylsulfon...)
Show SMILES Cc1cccc(C)c1COc1cc(cc(c1)S(C)(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H25NO4S/c1-15-7-6-8-16(2)22(15)14-28-20-10-18(11-21(12-20)29(5,26)27)19-9-17(3)23(25)24(4)13-19/h6-13H,14H2,1-5H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285284(5-[3-[(2-chlorophenyl)methoxy]-5- methylsulfonylph...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2ccccc2Cl)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H20ClNO4S/c1-14-8-17(12-23(2)21(14)24)16-9-18(11-19(10-16)28(3,25)26)27-13-15-6-4-5-7-20(15)22/h4-12H,13H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285285(5-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5- methy...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2ccccc2OC(F)F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H21F2NO5S/c1-14-8-17(12-25(2)21(14)26)16-9-18(11-19(10-16)31(3,27)28)29-13-15-6-4-5-7-20(15)30-22(23)24/h4-12,22H,13H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285286(2-[[3-(1,5-dimethyl-6-oxopyridin-3-yl)-5- methylsu...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2ccccc2C#N)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20N2O4S/c1-15-8-19(13-24(2)22(15)25)18-9-20(11-21(10-18)29(3,26)27)28-14-17-7-5-4-6-16(17)12-23/h4-11,13H,14H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285287(5-[3-[(2,4-difluorophenyl)methoxy]-5- methylsulfon...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2ccc(F)cc2F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H19F2NO4S/c1-13-6-16(11-24(2)21(13)25)15-7-18(10-19(8-15)29(3,26)27)28-12-14-4-5-17(22)9-20(14)23/h4-11H,12H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285288(1,3-dimethyl-5-[3-methylsulfonyl-5-(1- phenylethox...)
Show SMILES CC(Oc1cc(cc(c1)S(C)(=O)=O)-c1cc(C)c(=O)n(C)c1)c1ccccc1
Show InChI InChI=1S/C22H23NO4S/c1-15-10-19(14-23(3)22(15)24)18-11-20(13-21(12-18)28(4,25)26)27-16(2)17-8-6-5-7-9-17/h5-14,16H,1-4H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285290(1,3-dimethyl-5-[3-methylsulfonyl-5-(pyridin-3- ylm...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2cccnc2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H20N2O4S/c1-14-7-17(12-22(2)20(14)23)16-8-18(10-19(9-16)27(3,24)25)26-13-15-5-4-6-21-11-15/h4-12H,13H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285291(3-[[3-(1,5-dimethyl-6-oxopyridin-3-yl)-5- methylsu...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OCc2cccc(c2)C#N)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20N2O4S/c1-15-7-19(13-24(2)22(15)25)18-9-20(11-21(10-18)29(3,26)27)28-14-17-6-4-5-16(8-17)12-23/h4-11,13H,14H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285292(5-(3-but-2-ynoxy-5-methylsulfonylphenyl)-1,3- dime...)
Show SMILES CC#CCOc1cc(cc(c1)S(C)(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H19NO4S/c1-5-6-7-23-16-9-14(10-17(11-16)24(4,21)22)15-8-13(2)18(20)19(3)12-15/h8-12H,7H2,1-4H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285288(1,3-dimethyl-5-[3-methylsulfonyl-5-(1- phenylethox...)
Show SMILES CC(Oc1cc(cc(c1)S(C)(=O)=O)-c1cc(C)c(=O)n(C)c1)c1ccccc1
Show InChI InChI=1S/C22H23NO4S/c1-15-10-19(14-23(3)22(15)24)18-11-20(13-21(12-18)28(4,25)26)27-16(2)17-8-6-5-7-9-17/h5-14,16H,1-4H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285294(N-[3-(2,4-difluorophenoxy)-5-(1,5-dimethyl- 6-oxop...)
Show SMILES CCS(=O)(=O)Nc1cc(Oc2ccc(F)cc2F)cc(c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20F2N2O4S/c1-4-30(27,28)24-17-8-14(15-7-13(2)21(26)25(3)12-15)9-18(11-17)29-20-6-5-16(22)10-19(20)23/h5-12,24H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285296(2-methyl-4-(3-methylsulfonyl-5- phenylmethoxypheny...)
Show SMILES Cn1cc(-c2cc(OCc3ccccc3)cc(c2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C24H21NO4S/c1-25-15-23(21-10-6-7-11-22(21)24(25)26)18-12-19(14-20(13-18)30(2,27)28)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285297(4-[3-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cn1cc(-c2cc(OCC3CC3)cc(c2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C21H21NO4S/c1-22-12-20(18-5-3-4-6-19(18)21(22)23)15-9-16(26-13-14-7-8-14)11-17(10-15)27(2,24)25/h3-6,9-12,14H,7-8,13H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284996(N-[4-fluoro-3-[2-methyl-6-(1-methylpyrazol-4- yl)-...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cc(NS(C)(=O)=O)ccc1F
Show InChI InChI=1S/C21H19FN4O3S/c1-25-12-19(18-9-15(5-7-20(18)22)24-30(3,28)29)17-8-13(4-6-16(17)21(25)27)14-10-23-26(2)11-14/h4-12,24H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284997(N-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1- oxoisoq...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284998(N-[2,4-difluoro-5-[2-methyl-6-(1- methylpyrazol-4-...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cc(NS(C)(=O)=O)c(F)cc1F
Show InChI InChI=1S/C21H18F2N4O3S/c1-26-11-17(16-7-20(25-31(3,29)30)19(23)8-18(16)22)15-6-12(4-5-14(15)21(26)28)13-9-24-27(2)10-13/h4-11,25H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM284999(4-(3-ethylsulfonylphenyl)-2-methyl-6-(1- methylpyr...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H21N3O3S/c1-4-29(27,28)18-7-5-6-16(10-18)21-14-24(2)22(26)19-9-8-15(11-20(19)21)17-12-23-25(3)13-17/h5-14H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285000(N-[4-chloro-3-[2-methyl-6-(1-methylpyrazol- 4-yl)-...)
Show SMILES CCS(=O)(=O)Nc1ccc(Cl)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H21ClN4O3S/c1-4-31(29,30)25-16-6-8-21(23)19(10-16)20-13-26(2)22(28)17-7-5-14(9-18(17)20)15-11-24-27(3)12-15/h5-13,25H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285001(4-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H25N3O4S/c1-27-14-23(21-10-17(6-8-20(21)25(27)29)18-12-26-28(2)13-18)22-11-19(33(3,30)31)7-9-24(22)32-15-16-4-5-16/h6-14,16H,4-5,15H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285002(N-[3-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(F)ccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-16(15-9-12(18)6-7-14(15)17(20)21)11-4-3-5-13(8-11)19-24(2,22)23/h3-10,19H,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285005(N-[4-chloro-3-(6-fluoro-2-methyl-1- oxoisoquinolin...)
Show SMILES CCS(=O)(=O)Nc1ccc(Cl)c(c1)-c1cn(C)c(=O)c2ccc(F)cc12
Show InChI InChI=1S/C18H16ClFN2O3S/c1-3-26(24,25)21-12-5-7-17(19)15(9-12)16-10-22(2)18(23)13-6-4-11(20)8-14(13)16/h4-10,21H,3H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285012(N-[4-(2,4-difluorophenoxy)-3-(2-methyl-1- oxo-2,7-...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C23H19F2N3O4S/c1-3-33(30,31)27-15-5-7-21(32-22-6-4-14(24)10-20(22)25)17(11-15)19-13-28(2)23(29)18-12-26-9-8-16(18)19/h4-13,27H,3H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285013(N-[3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2ccc(F)cc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-16(14-7-6-12(18)9-15(14)17(20)21)11-4-3-5-13(8-11)19-24(2,22)23/h3-10,19H,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285016(3-(7-fluoro-2-methyl-1-oxoisoquinolin-4- yl)benzen...)
Show SMILES Cn1cc(-c2cccc(c2)S(N)(=O)=O)c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O3S/c1-19-9-15(10-3-2-4-12(7-10)23(18,21)22)13-6-5-11(17)8-14(13)16(19)20/h2-9H,1H3,(H2,18,21,22)
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285017(N-[3-(7-fluoro-2-methyl-1-oxoisoquinolin-4- yl)phe...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H17FN2O3S/c1-3-25(23,24)20-14-6-4-5-12(9-14)17-11-21(2)18(22)16-10-13(19)7-8-15(16)17/h4-11,20H,3H2,1-2H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285027(N-[3-[2-methyl-6-(6-methylpyridin-3-yl)-1- oxoisoq...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1ccc(C)nc1
Show InChI InChI=1S/C24H23N3O3S/c1-4-31(29,30)26-20-7-5-6-18(12-20)23-15-27(3)24(28)21-11-10-17(13-22(21)23)19-9-8-16(2)25-14-19/h5-15,26H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285030(N-[3-(2,6-dimethyl-1-oxoisoquinolin-4-yl) phenyl]e...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccc(C)cc12
Show InChI InChI=1S/C19H20N2O3S/c1-4-25(23,24)20-15-7-5-6-14(11-15)18-12-21(3)19(22)16-9-8-13(2)10-17(16)18/h5-12,20H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285031(N-[3-(6-ethyl-2-methyl-1-oxoisoquinolin-4-yl) phen...)
Show SMILES CCc1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(=O)(=O)CC)c1
Show InChI InChI=1S/C20H22N2O3S/c1-4-14-9-10-17-18(11-14)19(13-22(3)20(17)23)15-7-6-8-16(12-15)21-26(24,25)5-2/h6-13,21H,4-5H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285032(N-[3-(6-ethyl-2-methyl-1-oxoisoquinolin-4-yl) phen...)
Show SMILES CCc1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H20N2O3S/c1-4-13-8-9-16-17(10-13)18(12-21(2)19(16)22)14-6-5-7-15(11-14)20-25(3,23)24/h5-12,20H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285033(N-[3-(2,6-dimethyl-1-oxoisoquinolin-4-yl) phenyl]m...)
Show SMILES Cc1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H18N2O3S/c1-12-7-8-15-16(9-12)17(11-20(2)18(15)21)13-5-4-6-14(10-13)19-24(3,22)23/h4-11,19H,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285034(4-(5-ethylsulfonyl-2-methoxyphenyl)-2- methyl-6-(1...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285035(4-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl- 6-(1...)
Show SMILES CCS(=O)(=O)c1ccc(O)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H21N3O4S/c1-4-30(28,29)16-6-8-21(26)19(10-16)20-13-24(2)22(27)17-7-5-14(9-18(17)20)15-11-23-25(3)12-15/h5-13,26H,4H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM50158627(CHEMBL3787482 | US10023592, Example 81)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285037(4-[2-(cyclopropylmethoxy)-5- ethylsulfonylphenyl]-...)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N3O4S/c1-4-34(31,32)20-8-10-25(33-16-17-5-6-17)23(12-20)24-15-28(2)26(30)21-9-7-18(11-22(21)24)19-13-27-29(3)14-19/h7-15,17H,4-6,16H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285038(4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285039(4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...)
Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM285040(4-[2-(2-aminoethoxy)-5-ethylsulfonylphenyl]- 2-met...)
Show SMILES CCS(=O)(=O)c1ccc(OCCN)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N4O4S/c1-4-33(30,31)18-6-8-23(32-10-9-25)21(12-18)22-15-27(2)24(29)19-7-5-16(11-20(19)22)17-13-26-28(3)14-17/h5-8,11-15H,4,9-10,25H2,1-3H3
Affinity DataIC50: 500nMpH: 7.3Assay Description:Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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