Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM284983'
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
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: 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

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: 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