BDBM50220856 2-(3-(4-phenylpiperidin-1-yl)propyl)quinazolin-4(3H)-one::2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-3H-quinazolin-4-one::CHEMBL249813

SMILES: O=c1[nH]c(CCCN2CCC(CC2)c2ccccc2)nc2ccccc12

InChI Key: InChIKey=GNEBUQTZKVXTKB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50220856   

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))	BDBM50220856 (2-(3-(4-phenylpiperidin-1-yl)propyl)quinazolin-4(3...) Show SMILES O=c1[nH]c(CCCN2CCC(CC2)c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220856 (2-(3-(4-phenylpiperidin-1-yl)propyl)quinazolin-4(3...) Show SMILES O=c1[nH]c(CCCN2CCC(CC2)c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan [corrected] University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis				Bioorg Med Chem Lett 23: 2642-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.094 BindingDB Entry DOI: 10.7270/Q2WH2RCN
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220856 (2-(3-(4-phenylpiperidin-1-yl)propyl)quinazolin-4(3...) Show SMILES O=c1[nH]c(CCCN2CCC(CC2)c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3
					More data for this Ligand-Target Pair