Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM284963'
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
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: 2.75E+3nMAssay 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
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: 2.75E+3nMpH: 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