Compile Data Set for Download or QSAR
Found 505 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 9746
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research, Inc.

US Patent
LigandPNGBDBM285402(5-(2-ethoxy-5-ethylsulfonylphenyl)-1- (2H3)methyl-...)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)cc1C)S(=O)(=O)CC
Show InChI InChI=1S/C17H21NO4S/c1-5-22-16-8-7-13(23(20,21)6-2)10-14(16)15-11-18(4)17(19)9-12(15)3/h7-11H,5-6H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285403(5-[2-(cyclopropylmethoxy)-5- ethylsulfonylphenyl]-...)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)cc1C
Show InChI InChI=1S/C19H23NO4S/c1-4-25(22,23)15-7-8-18(24-12-14-5-6-14)16(10-15)17-11-20(3)19(21)9-13(17)2/h7-11,14H,4-6,12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486248(5-(2-ethoxy-5-ethylsulfonylphenyl)-1,4 dimethylpyr...)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)cc1C)S(O)(O)CC
Show InChI InChI=1S/C17H23NO4S/c1-5-22-16-8-7-13(23(20,21)6-2)10-14(16)15-11-18(4)17(19)9-12(15)3/h7-11,20-21H,5-6H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285405(5-[2-(cyclobutylmethoxy)-5- methylsulfonylphenyl]-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(ccc1OCC1CCC1)S(C)(=O)=O
Show InChI InChI=1S/C19H23NO4S/c1-13-9-15(11-20(2)19(13)21)17-10-16(25(3,22)23)7-8-18(17)24-12-14-5-4-6-14/h7-11,14H,4-6,12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285406(5-[2-(cyclobutylmethoxy)-5- methylsulfonylphenyl]-...)
Show SMILES Cn1cc(ccc1=O)-c1cc(ccc1OCC1CCC1)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-19-11-14(6-9-18(19)20)16-10-15(24(2,21)22)7-8-17(16)23-12-13-4-3-5-13/h6-11,13H,3-5,12H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285408(5-[2-(cyclopropylmethylamino)-5- methylsulfonylphe...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(ccc1NCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C18H22N2O3S/c1-12-8-14(11-20(2)18(12)21)16-9-15(24(3,22)23)6-7-17(16)19-10-13-4-5-13/h6-9,11,13,19H,4-5,10H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486253(N-[4-(2,4-difluorophenoxy)-3-[5- (dimethylamino)-1...)
Show SMILES CN(C)c1cc(cn(C)c1=O)-c1cc(NS(C)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C21H21F2N3O3S/c1-25(2)18-9-13(12-26(3)21(18)27)16-11-15(24-30(4)28)6-8-19(16)29-20-7-5-14(22)10-17(20)23/h5-12,24H,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285410(N-[4-(2,4-difluorophenoxy)-3-[5- (dimethylamino)-1...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(N(C)C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23F2N3O4S/c1-5-32(29,30)25-16-7-9-20(31-21-8-6-15(23)11-18(21)24)17(12-16)14-10-19(26(2)3)22(28)27(4)13-14/h6-13,25H,5H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486255(5-[2-(cyclopropylmethylamino)-5- ethylsulfonylphen...)
Show SMILES CCS(O)(O)c1ccc(NCC2CC2)c(c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H26N2O3S/c1-4-25(23,24)16-7-8-18(20-11-14-5-6-14)17(10-16)15-9-13(2)19(22)21(3)12-15/h7-10,12,14,20,23-24H,4-6,11H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486256(5-[2-(cyclopropylmethoxy)-5- ethylsulfonylphenyl]-...)
Show SMILES CCS(O)(O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)cc1C
Show InChI InChI=1S/C19H25NO4S/c1-4-25(22,23)15-7-8-18(24-12-14-5-6-14)16(10-15)17-11-20(3)19(21)9-13(17)2/h7-11,14,22-23H,4-6,12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285414(5-[2-(cyclopropylmethylamino)-5- methylsulfonylphe...)
Show SMILES Cn1cc(ccc1=O)-c1cc(ccc1NCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-19-11-13(5-8-17(19)20)15-9-14(23(2,21)22)6-7-16(15)18-10-12-3-4-12/h5-9,11-12,18H,3-4,10H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486259(3-(dimethylamino)-5-(2-ethoxy-5- ethylsulfonylphen...)
Show SMILES CCOc1ccc(cc1-c1cc(N(C)C)c(=O)n(C)c1)S(O)(O)CC
Show InChI InChI=1S/C18H26N2O4S/c1-6-24-17-9-8-14(25(22,23)7-2)11-15(17)13-10-16(19(3)4)18(21)20(5)12-13/h8-12,22-23H,6-7H2,1-5H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486260(5-[2-(2,4-difluorophenoxy)-5- (methylsulfonylmethy...)
Show SMILES Cn1cc(ccc1=O)-c1cc(CS(C)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C20H17F2NO3S/c1-23-11-14(4-8-20(23)24)16-9-13(12-27(2)25)3-6-18(16)26-19-7-5-15(21)10-17(19)22/h3-11H,12H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285233(N-[4-(2,4-difluorophenoxy)-3-[5-(2H3)methyl- 1-met...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20F2N2O4S/c1-4-30(27,28)24-16-6-8-19(29-20-7-5-15(22)10-18(20)23)17(11-16)14-9-13(2)21(26)25(3)12-14/h5-12,24H,4H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486263(5-[2-(cyclopropylmethylamino)-5- ethylsulfonylphen...)
Show SMILES CCS(O)(O)c1ccc(NCC2CC2)c(c1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C18H24N2O3S/c1-3-24(22,23)15-7-8-17(19-11-13-4-5-13)16(10-15)14-6-9-18(21)20(2)12-14/h6-10,12-13,19,22-23H,3-5,11H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285420(5-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES CN(C)c1cc(cn(C)c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C19H24N2O4S/c1-20(2)17-9-14(11-21(3)19(17)22)16-10-15(26(4,23)24)7-8-18(16)25-12-13-5-6-13/h7-11,13H,5-6,12H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285422(5-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-12-8-14(10-19(2)18(12)20)16-9-15(24(3,21)22)6-7-17(16)23-11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486267(5-[2-(cyclopropylmethoxy)-5- methylsulfonylpheny]-...)
Show SMILES Cc1cc(=O)n(C)cc1-c1cc(ccc1OCC1CC1)S(C)(O)=O
Show InChI InChI=1S/C18H23NO4S/c1-12-8-18(20)19(2)10-16(12)15-9-14(24(3,21)22)6-7-17(15)23-11-13-4-5-13/h6-10,13,24H,4-5,11H2,1-3H3,(H,21,22)
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285429(1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5- methylsu...)
Show SMILES Cc1cc(cn(C2CCC2)c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H25NO4S/c1-14-10-16(12-22(21(14)23)17-4-3-5-17)19-11-18(27(2,24)25)8-9-20(19)26-13-15-6-7-15/h8-12,15,17H,3-7,13H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486274(N-[3-(1-cyclobutyl-5-methyl-6-oxopyridin-3- yl)-4-...)
Show SMILES Cc1cc(cn(C2CCC2)c1=O)-c1cc(NS(C)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H22F2N2O3S/c1-14-10-15(13-27(23(14)28)18-4-3-5-18)19-12-17(26-31(2)29)7-9-21(19)30-22-8-6-16(24)11-20(22)25/h6-13,18,26H,3-5H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285433(4-[5-(ethylsulfonylmethyl)-2-(2,2,2- trifluoroetho...)
Show SMILES CCS(=O)(=O)Cc1ccc(OCC(F)(F)F)c(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C21H20F3NO4S/c1-3-30(27,28)12-14-8-9-19(29-13-21(22,23)24)17(10-14)18-11-25(2)20(26)16-7-5-4-6-15(16)18/h4-11H,3,12-13H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486278(2-methyl-4-[5-(methylsulfonylmethyl)-2- (2,2,2-tri...)
Show SMILES Cn1cc(-c2cc(CS(C)=O)ccc2OCC(F)(F)F)c2ccccc2c1=O
Show InChI InChI=1S/C20H18F3NO3S/c1-24-10-17(14-5-3-4-6-15(14)19(24)25)16-9-13(11-28(2)26)7-8-18(16)27-12-20(21,22)23/h3-10H,11-12H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM486280(N-[2-ethyl-8-(2-methyl-1-oxoisoquinolin-4-yl)- 3,4...)
Show SMILES CCC1CCc2cc(NS(C)=O)cc(c2O1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O3S/c1-4-16-10-9-14-11-15(23-28(3)26)12-19(21(14)27-16)20-13-24(2)22(25)18-8-6-5-7-17(18)20/h5-8,11-13,16,23H,4,9-10H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285437(N-[2-ethyl-8-(2-methyl-1-oxoisoquinolin-4-yl)- 3,4...)
Show SMILES CCC1CCc2cc(NS(=O)(=O)CC)cc(c2O1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O4S/c1-4-17-11-10-15-12-16(24-30(27,28)5-2)13-20(22(15)29-17)21-14-25(3)23(26)19-9-7-6-8-18(19)21/h6-9,12-14,17,24H,4-5,10-11H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285438(N-[8-(1,5-dimethyl-6-oxopyridin-3-yl)-2-ethyl- 3,4...)
Show SMILES CCC1CCc2cc(NS(=O)(=O)CC)cc(-c3cc(C)c(=O)n(C)c3)c2O1
Show InChI InChI=1S/C20H26N2O4S/c1-5-17-8-7-14-10-16(21-27(24,25)6-2)11-18(19(14)26-17)15-9-13(3)20(23)22(4)12-15/h9-12,17,21H,5-8H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285439(4-(2-cyclopropyl-5-methylsulfonyl-2,3- dihydro-1-b...)
Show SMILES Cn1cc(-c2cc(cc3CC(Oc23)C2CC2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C22H21NO4S/c1-23-12-19(16-5-3-4-6-17(16)22(23)24)18-11-15(28(2,25)26)9-14-10-20(13-7-8-13)27-21(14)18/h3-6,9,11-13,20H,7-8,10H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285440(4-(2-ethyl-5-methylsulfonyl-2,3-dihydro-1- benzofu...)
Show SMILES CCC1Cc2cc(cc(c2O1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO4S/c1-4-14-9-13-10-15(27(3,24)25)11-18(20(13)26-14)19-12-22(2)21(23)17-8-6-5-7-16(17)19/h5-8,10-12,14H,4,9H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285441(N-[7-(1,5-dimethyl-6-oxopyridin-3-yl)-2- propyl-2,...)
Show SMILES CCCC1Cc2cc(NS(=O)(=O)CC)cc(c2O1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O4S/c1-5-7-17-10-14-9-16(21-27(24,25)6-2)11-18(19(14)26-17)15-8-13(3)20(23)22(4)12-15/h8-9,11-12,17,21H,5-7,10H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285442(N-[2-cyclopropyl-7-(1,5-dimethyl-6- oxopyridin-3-y...)
Show SMILES CCS(=O)(=O)Nc1cc2CC(Oc2c(c1)-c1cc(C)c(=O)n(C)c1)C1CC1
Show InChI InChI=1S/C20H24N2O4S/c1-4-27(24,25)21-16-8-14-9-18(13-5-6-13)26-19(14)17(10-16)15-7-12(2)20(23)22(3)11-15/h7-8,10-11,13,18,21H,4-6,9H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285443(4-[3-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2cc(cc(c2O1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO6S/c1-22-10-18(15-6-4-5-7-16(15)21(22)23)17-8-14(29(3,24)25)9-19-20(17)28-13(11-26-2)12-27-19/h4-10,13H,11-12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285444(5-[3-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2cc(cc(-c3cc(C)c(=O)n(C)c3)c2O1)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO6S/c1-11-5-12(8-19(2)18(11)20)15-6-14(26(4,21)22)7-16-17(15)25-13(9-23-3)10-24-16/h5-8,13H,9-10H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285443(4-[3-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2cc(cc(c2O1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO6S/c1-22-10-18(15-6-4-5-7-16(15)21(22)23)17-8-14(29(3,24)25)9-19-20(17)28-13(11-26-2)12-27-19/h4-10,13H,11-12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285444(5-[3-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2cc(cc(-c3cc(C)c(=O)n(C)c3)c2O1)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO6S/c1-11-5-12(8-19(2)18(11)20)15-6-14(26(4,21)22)7-16-17(15)25-13(9-23-3)10-24-16/h5-8,13H,9-10H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285447(4-[2-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2c(O1)cc(cc2-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO6S/c1-22-10-18(15-6-4-5-7-16(15)21(22)23)17-8-14(29(3,24)25)9-19-20(17)27-12-13(28-19)11-26-2/h4-10,13H,11-12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285448(5-[2-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2c(O1)cc(cc2-c1cc(C)c(=O)n(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO6S/c1-11-5-12(8-19(2)18(11)20)15-6-14(26(4,21)22)7-16-17(15)24-10-13(25-16)9-23-3/h5-8,13H,9-10H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285447(4-[2-(methoxymethyl)-7-methylsulfonyl-2,3- dihydro...)
Show SMILES COCC1COc2c(O1)cc(cc2-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO6S/c1-22-10-18(15-6-4-5-7-16(15)21(22)23)17-8-14(29(3,24)25)9-19-20(17)27-12-13(28-19)11-26-2/h4-10,13H,11-12H2,1-3H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285450(4-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cn1cc(c2CCCc2c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23NO4S/c1-21-11-18(15-4-3-5-16(15)20(21)22)17-10-14(26(2,23)24)8-9-19(17)25-12-13-6-7-13/h8-11,13H,3-7,12H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285451(4-[2-(cyclopropylmethoxy)-5- ethylsulfonylphenyl]-...)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)c2CCCc12
Show InChI InChI=1S/C21H25NO4S/c1-3-27(24,25)15-9-10-20(26-13-14-7-8-14)18(11-15)19-12-22(2)21(23)17-6-4-5-16(17)19/h9-12,14H,3-8,13H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285452(N-[4-(2,4-difluorophenoxy)-3-(2-methyl-1- oxo-6,7-...)
Show SMILES Cn1cc(c2CCCc2c1=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H20F2N2O4S/c1-26-12-18(15-4-3-5-16(15)22(26)27)17-11-14(25-31(2,28)29)7-9-20(17)30-21-8-6-13(23)10-19(21)24/h6-12,25H,3-5H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285453(N-[4-(2,4-difluorophenoxy)-3-(2-methyl-1- oxo-6,7-...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2CCCc12
Show InChI InChI=1S/C23H22F2N2O4S/c1-3-32(29,30)26-15-8-10-21(31-22-9-7-14(24)11-20(22)25)18(12-15)19-13-27(2)23(28)17-6-4-5-16(17)19/h7-13,26H,3-6H2,1-2H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285454(5-(5-butyl-2-methylsulfonylpyrimidin-4-yl)-3- meth...)
Show SMILES CCCCc1cnc(C)nc1-c1cc(C)c(=O)n(c1)C(C)C
Show InChI InChI=1S/C18H25N3O/c1-6-7-8-15-10-19-14(5)20-17(15)16-9-13(4)18(22)21(11-16)12(2)3/h9-12H,6-8H2,1-5H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285455(N-[5-(2,4-difluorophenoxy)-4-(5-methyl-6- oxo-1-pr...)
Show SMILES CCc1ncc(Oc2ccc(F)cc2F)c(n1)-c1cc(C)c(=O)n(c1)C(C)C
Show InChI InChI=1S/C21H21F2N3O2/c1-5-19-24-10-18(28-17-7-6-15(22)9-16(17)23)20(25-19)14-8-13(4)21(27)26(11-14)12(2)3/h6-12H,5H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285457(N-[5-butyl-4-(5-methyl-6-oxo-1-propan-2- ylpyridin...)
Show SMILES CCCCc1cnc(CC)nc1-c1cc(C)c(=O)n(c1)C(C)C
Show InChI InChI=1S/C19H27N3O/c1-6-8-9-15-11-20-17(7-2)21-18(15)16-10-14(5)19(23)22(12-16)13(3)4/h10-13H,6-9H2,1-5H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285458(N-[5-butyl-4-(1-methyl-6-oxo-5-propan-2- ylpyridin...)
Show SMILES CCCCc1cnc(CC)nc1-c1cc(C(C)C)c(=O)n(C)c1
Show InChI InChI=1S/C19H27N3O/c1-6-8-9-14-11-20-17(7-2)21-18(14)15-10-16(13(3)4)19(23)22(5)12-15/h10-13H,6-9H2,1-5H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285459(5-(5-butyl-2-methylsulfonylpyrimidin-4-yl)-1- meth...)
Show SMILES CCCCc1cnc(C)nc1-c1cc(C(C)C)c(=O)n(C)c1
Show InChI InChI=1S/C18H25N3O/c1-6-7-8-14-10-19-13(4)20-17(14)15-9-16(12(2)3)18(22)21(5)11-15/h9-12H,6-8H2,1-5H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM285460(N-[5-(2,4-difluorophenoxy)-4-(1-methyl-6-oxo-5-pro...)
Show SMILES CCc1ncc(Oc2ccc(F)cc2F)c(n1)-c1cc(C(C)C)c(=O)n(C)c1
Show InChI InChI=1S/C21H21F2N3O2/c1-5-19-24-10-18(28-17-7-6-14(22)9-16(17)23)20(25-19)13-8-15(12(2)3)21(27)26(4)11-13/h6-12H,5H2,1-4H3
Affinity DataIC50: 500nMAssay 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
LigandPNGBDBM485806(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]metha...)
Show SMILES Cn1cc(-c2cccc(NS(C)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H16N2O2S/c1-19-11-16(14-8-3-4-9-15(14)17(19)20)12-6-5-7-13(10-12)18-22(2)21/h3-11,18H,1-2H3
Affinity DataIC50: 500nMAssay 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: 500nMAssay 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: 500nMAssay 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
LigandPNGBDBM485814(N-[2-methyl-5-(2-methyl-1-oxoiso- quinolin-4-yl)ph...)
Show SMILES Cc1ccc(cc1NS(C)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c1-12-8-9-13(10-17(12)19-23(3)22)16-11-20(2)18(21)15-7-5-4-6-14(15)16/h4-11,19H,1-3H3
Affinity DataIC50: 500nMAssay 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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