BDBM50200387 CHEMBL3972721::US9763922, Example 198

SMILES: CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C

InChI Key: InChIKey=FEVFEDHOYMRQIZ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50200387   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50200387 (CHEMBL3972721 | US9763922, Example 198) Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay				J Med Chem 59: 10549-10563 (2016) Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50200387 (CHEMBL3972721 | US9763922, Example 198) Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...				US Patent US9763922 (2017) BindingDB Entry DOI: 10.7270/Q23N25G6
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50200387 (CHEMBL3972721 | US9763922, Example 198) Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...				US Patent US9763922 (2017) BindingDB Entry DOI: 10.7270/Q23N25G6
					More data for this Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50200387 (CHEMBL3972721 | US9763922, Example 198) Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay				J Med Chem 59: 10549-10563 (2016) Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF
					More data for this Ligand-Target Pair