BDBM50096320 CHEMBL3586721

SMILES: Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc(O)c1

InChI Key: InChIKey=VFCRCXFGVONREG-ACCUITESSA-N

Data: 2 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 2 hits for monomerid = 50096320   

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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50096320 (CHEMBL3586721) Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc(O)c1 Show InChI InChI=1S/C25H22ClFN4O/c1-16(2)28-15-19-7-5-6-18(29-19)11-13-24-30-22-12-10-17(27)14-20(22)25(32)31(24)23-9-4-3-8-21(23)26/h3-14,16,28H,15H2,1-2H3/b13-11+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...				J Med Chem 58: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50096320 (CHEMBL3586721) Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cccc(O)c1 Show InChI InChI=1S/C25H22ClFN4O/c1-16(2)28-15-19-7-5-6-18(29-19)11-13-24-30-22-12-10-17(27)14-20(22)25(32)31(24)23-9-4-3-8-21(23)26/h3-14,16,28H,15H2,1-2H3/b13-11+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis				J Med Chem 58: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
					More data for this Ligand-Target Pair