BDBM50295194 3-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one::CHEMBL559779

SMILES: O=C(N1CCCNCC1)c1cnn2c1[nH]c(=O)c1ccccc21

InChI Key: InChIKey=WCXUADZVVMCNEK-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 = 50295194   

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))	BDBM50295194 (3-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazo...) Show SMILES O=C(N1CCCNCC1)c1cnn2c1[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(19-15)12(10-18-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,19,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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