Compile Data Set for Download or QSAR
Found 42 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50002684
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 3nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285167(2-methyl-6-(1-methylpyrazol-4-yl)-4-(5- methylsulf...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N3O4S/c1-5-10-31-23-9-7-18(32(4,29)30)12-21(23)22-15-26(2)24(28)19-8-6-16(11-20(19)22)17-13-25-27(3)14-17/h6-9,11-15H,5,10H2,1-4H3
Affinity DataIC50: 5nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 5nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285166(4-(2-ethoxy-5-methylsulfonylphenyl)-2- methyl-6-(1...)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-5-30-22-9-7-17(31(4,28)29)11-20(22)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: 9nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 15nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 18nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 49nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 50nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50365463(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
Affinity DataIC50: 68nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 130nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 150nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 160nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 240nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 250nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 270nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 410nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 420nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
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: 460nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM284976(3-(2-methyl-1-oxoisoquinolin-4- yl)benzenesulfonam...)
Show SMILES Cn1cc(-c2cccc(c2)S(N)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-10-15(13-7-2-3-8-14(13)16(18)19)11-5-4-6-12(9-11)22(17,20)21/h2-10H,1H3,(H2,17,20,21)
Affinity DataIC50: 510nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM284965(N-ethyl-3-(2-methyl-1-oxo-isoquinolin-4-yl) benzen...)
Show SMILES CCNS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-3-19-24(22,23)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: 710nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM284963(BDBM485805 | N-[[3-(2-methyl-1-oxoisoquinolin-4-yl...)
Show SMILES Cn1cc(-c2cccc(CNS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C18H18N2O3S/c1-20-12-17(15-8-3-4-9-16(15)18(20)21)14-7-5-6-13(10-14)11-19-24(2,22)23/h3-10,12,19H,11H2,1-2H3
Affinity DataIC50: 750nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM284966(4-(3-ethylsulfonylphenyl)-2- methylisoquinolin-1-o...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H17NO3S/c1-3-23(21,22)14-8-6-7-13(11-14)17-12-19(2)18(20)16-10-5-4-9-15(16)17/h4-12H,3H2,1-2H3
Affinity DataIC50: 910nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285029(N-[3-(2-methyl-1-oxo-6-phenylisoquinolin- 4-yl)phe...)
Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c1-25-15-22(18-9-6-10-19(13-18)24-29(2,27)28)21-14-17(11-12-20(21)23(25)26)16-7-4-3-5-8-16/h3-15,24H,1-2H3
Affinity DataIC50: 920nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285020(2-methyl-4-(1-methylpyrazol-4-yl)isoquinolin- 1-on...)
Show SMILES Cn1cc(cn1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O/c1-16-9-13(10-7-15-17(2)8-10)11-5-3-4-6-12(11)14(16)18/h3-9H,1-2H3
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM284960(4-(3-aminophenyl)-2- methylisoquinolin-1-one | US1...)
Show SMILES Cn1cc(-c2cccc(N)c2)c2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O/c1-18-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16(18)19/h2-10H,17H2,1H3
Affinity DataIC50: 2.89E+3nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM284982(N-benzyl-3-(2-methyl-1-oxoisoquinolin-4-yl) benzen...)
Show SMILES Cn1cc(-c2cccc(c2)S(=O)(=O)NCc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C23H20N2O3S/c1-25-16-22(20-12-5-6-13-21(20)23(25)26)18-10-7-11-19(14-18)29(27,28)24-15-17-8-3-2-4-9-17/h2-14,16,24H,15H2,1H3
Affinity DataIC50: 2.99E+3nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461602(CHEMBL4227207 | US10941160, Example 1)
Show SMILES Cn1cc(-c2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13NO/c1-17-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(17)18/h2-11H,1H3
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285025(2-methyl-4-pyridin-2-ylisoquinolin-1-one | US10023...)
Show SMILES Cn1cc(-c2ccccn2)c2ccccc2c1=O
Show InChI InChI=1S/C15H12N2O/c1-17-10-13(14-8-4-5-9-16-14)11-6-2-3-7-12(11)15(17)18/h2-10H,1H3
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285026(2-methyl-4-pyrimidin-2-ylisoquinolin- 1-one | US10...)
Show SMILES Cn1cc(-c2ncccn2)c2ccccc2c1=O
Show InChI InChI=1S/C14H11N3O/c1-17-9-12(13-15-7-4-8-16-13)10-5-2-3-6-11(10)14(17)18/h2-9H,1H3
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285022(2-methyl-4-(1,3-oxazol-2-yl)isoquinolin- 1-one | U...)
Show SMILES Cn1cc(-c2ncco2)c2ccccc2c1=O
Show InChI InChI=1S/C13H10N2O2/c1-15-8-11(12-14-6-7-17-12)9-4-2-3-5-10(9)13(15)16/h2-8H,1H3
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461605(CHEMBL4227233)
Show SMILES CNC(=O)c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C12H12N2O2/c1-13-11(15)10-7-14(2)12(16)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,15)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM285024(2-methyl-4-(1-methylimidazol-2- yl)isoquinolin-1-o...)
Show SMILES Cn1ccnc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O/c1-16-8-7-15-13(16)12-9-17(2)14(18)11-6-4-3-5-10(11)12/h3-9H,1-2H3
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461599(CHEMBL4227710)
Show SMILES CC(=O)c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C16H15N3O2/c1-10(20)15-9-18(2)16(21)13-5-4-11(6-14(13)15)12-7-17-19(3)8-12/h4-9H,1-3H3
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461606(CHEMBL4225460)
Show SMILES Cn1cc(C(=O)NCc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O2/c1-20-12-16(14-9-5-6-10-15(14)18(20)22)17(21)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,21)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461595(CHEMBL4225096)
Show SMILES COC(=O)c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C12H11NO3/c1-13-7-10(12(15)16-2)8-5-3-4-6-9(8)11(13)14/h3-7H,1-2H3
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461597(CHEMBL4227855)
Show SMILES CCNC(=O)c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C13H14N2O2/c1-3-14-12(16)11-8-15(2)13(17)10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3,(H,14,16)
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461598(CHEMBL1443641)
Show SMILES CC(=O)c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C12H11NO2/c1-8(14)11-7-13(2)12(15)10-6-4-3-5-9(10)11/h3-7H,1-2H3
Affinity DataIC50: 7.10E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461601(CHEMBL4226129)
Show SMILES CC(=O)c1cn(C)c(=O)c2ccc(cc12)-c1ncco1
Show InChI InChI=1S/C15H12N2O3/c1-9(18)13-8-17(2)15(19)11-4-3-10(7-12(11)13)14-16-5-6-20-14/h3-8H,1-2H3
Affinity DataIC50: 7.20E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461604(CHEMBL4228900)
Show SMILES CC(=O)c1cn(C)c(=O)c2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-12(20)17-11-19(2)18(21)15-9-8-14(10-16(15)17)13-6-4-3-5-7-13/h3-11H,1-2H3
Affinity DataIC50: 8.10E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461596(CHEMBL4226431)
Show SMILES CCn1cc(C(=O)OC)c2ccccc2c1=O
Show InChI InChI=1S/C13H13NO3/c1-3-14-8-11(13(16)17-2)9-6-4-5-7-10(9)12(14)15/h4-8H,3H2,1-2H3
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461600(CHEMBL4225778)
Show SMILES CC(=O)c1cn(C)c(=O)c2ccc(cc12)-c1nccs1
Show InChI InChI=1S/C15H12N2O2S/c1-9(18)13-8-17(2)15(19)11-4-3-10(7-12(11)13)14-16-5-6-20-14/h3-8H,1-2H3
Affinity DataIC50: 1.21E+5nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Celgene Quanticel Research

Curated by ChEMBL
LigandPNGBDBM50461603(CHEMBL4228106)
Show SMILES CCCn1cc(C(=O)OC)c2ccccc2c1=O
Show InChI InChI=1S/C14H15NO3/c1-3-8-15-9-12(14(17)18-2)10-6-4-5-7-11(10)13(15)16/h4-7,9H,3,8H2,1-2H3
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid