BDBM50120276 3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-N-(2-naphthalen-2-yl-2-oxo-ethyl)-butyramide::CHEMBL110347

SMILES: CC(CC(=O)NCC(=O)c1ccc2ccccc2c1)n1c2CCCCc2c(=O)[nH]c1=O

InChI Key: InChIKey=XYMUWEHPUPEGET-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 = 50120276   

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))	BDBM50120276 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES CC(CC(=O)NCC(=O)c1ccc2ccccc2c1)n1c2CCCCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H25N3O4/c1-15(27-20-9-5-4-8-19(20)23(30)26-24(27)31)12-22(29)25-14-21(28)18-11-10-16-6-2-3-7-17(16)13-18/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair