BDBM50151013 2-{3-[4-(4-Pyridin-1-yl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one::CHEMBL188985

SMILES: O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)-[n+]2ccccc2)nc2ccccc12

InChI Key: InChIKey=QBNUELPTRBGXCU-UHFFFAOYSA-O

Data: 1 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 1 hit for monomerid = 50151013   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151013 (2-{3-[4-(4-Pyridin-1-yl-phenyl)-3,6-dihydro-2H-pyr...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)-[n+]2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C27H26N4O/c32-27-24-7-2-3-8-25(24)28-26(29-27)9-6-16-30-19-14-22(15-20-30)21-10-12-23(13-11-21)31-17-4-1-5-18-31/h1-5,7-8,10-14,17-18H,6,9,15-16,19-20H2/p+1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair