BDBM50220868 2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)propyl)quinazolin-4(3H)-one::2-{3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one::CHEMBL251028

SMILES: Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1

InChI Key: InChIKey=ICKHQBFMNJZNAQ-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 = 50220868   

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))	BDBM50220868 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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))	BDBM50220868 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220868 (2-(3-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Clc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	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