BDBM50306280 1-(3-chlorobenzoyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one::CHEMBL594999

SMILES: Clc1cccc(c1)C(=O)N1CCc2cccc3C(=O)NCC1c23

InChI Key: InChIKey=YCIYQAMHWXRYOZ-UHFFFAOYSA-N

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 = 50306280   

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))	BDBM50306280 (1-(3-chlorobenzoyl)-2,3,9,9a-tetrahydro-1H-benzo[d...) Show SMILES Clc1cccc(c1)C(=O)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H15ClN2O2/c19-13-5-1-4-12(9-13)18(23)21-8-7-11-3-2-6-14-16(11)15(21)10-20-17(14)22/h1-6,9,15H,7-8,10H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair