BDBM50094886 CHEMBL3589468

SMILES: COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccccc2)cc1

InChI Key: InChIKey=WQITZMVRSQPEBE-HMMYKYKNSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50094886   

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 2 (Homo sapiens (Human))	BDBM50094886 (CHEMBL3589468) Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)15-20(18-7-3-2-4-8-18)24(28)26-16-23(27)25-21-9-5-6-10-22(21)26/h2-15H,16H2,1H3,(H,25,27)/b20-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...				Bioorg Med Chem Lett 25: 2818-23 (2015) Article DOI: 10.1016/j.bmcl.2015.04.107 BindingDB Entry DOI: 10.7270/Q25M67FC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50094886 (CHEMBL3589468) Show SMILES COc1ccc(\C=C(\C(=O)N2CC(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)15-20(18-7-3-2-4-8-18)24(28)26-16-23(27)25-21-9-5-6-10-22(21)26/h2-15H,16H2,1H3,(H,25,27)/b20-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...				Bioorg Med Chem Lett 25: 2818-23 (2015) Article DOI: 10.1016/j.bmcl.2015.04.107 BindingDB Entry DOI: 10.7270/Q25M67FC
					More data for this Ligand-Target Pair				3D Structure (crystal)