BDBM50295183 (S)-2-(3-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)phenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one::CHEMBL550041

SMILES: O=C(N1CCN2CCC[C@H]2C1)c1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1

InChI Key: InChIKey=LYEVPIATZNDPNA-SFHVURJKSA-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 = 50295183   

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))	BDBM50295183 ((S)-2-(3-(octahydropyrrolo[1,2-a]pyrazine-2-carbon...) Show SMILES O=C(N1CCN2CCC[C@H]2C1)c1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 |r| Show InChI InChI=1S/C24H23N5O2/c30-23-19-8-1-2-9-21(19)29-22(25-23)14-20(26-29)16-5-3-6-17(13-16)24(31)28-12-11-27-10-4-7-18(27)15-28/h1-3,5-6,8-9,13-14,18H,4,7,10-12,15H2,(H,25,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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
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