BDBM50094894 CHEMBL3589485

SMILES: O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1ccccc1

InChI Key: InChIKey=LRMDXTVKVHKWEK-UHFFFAOYSA-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 = 50094894   

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))	BDBM50094894 (CHEMBL3589485) Show SMILES O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50094894 (CHEMBL3589485) Show SMILES O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+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