BDBM50295190 2-(3-(morpholinomethyl)piperidine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one::CHEMBL563541

SMILES: O=C(N1CCCC(CN2CCOCC2)C1)c1cc2[nH]c(=O)c3ccccc3n2n1

InChI Key: InChIKey=CDNQNODATVRJBG-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295190   

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))	BDBM50295190 (2-(3-(morpholinomethyl)piperidine-1-carbonyl)pyraz...) Show SMILES O=C(N1CCCC(CN2CCOCC2)C1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C21H25N5O3/c27-20-16-5-1-2-6-18(16)26-19(22-20)12-17(23-26)21(28)25-7-3-4-15(14-25)13-24-8-10-29-11-9-24/h1-2,5-6,12,15H,3-4,7-11,13-14H2,(H,22,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair