BDBM50158627 CHEMBL3787482::US10023592, Example 81

SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC

InChI Key InChIKey=XRQXPDFUZRIANE-UHFFFAOYSA-N

Data  6 IC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50158627   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Genentech

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: 100nMAssay Description:Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 after 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Genentech

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: 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
TargetHistone acetyltransferase KAT2A(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: 8.00E+4nMAssay Description:Inhibition of human GCN5L2 by AlphaScreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Genentech

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: 2nMAssay Description:Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR methodMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(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: 8.00E+4nMAssay Description:Inhibition of human ATAD2A by AlphaScreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Genentech

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