BDBM50296552 CHEMBL564695::N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)-1-(pyridin-4-yl)piperidine-4-carboxamide

SMILES: O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)C1CCN(CC1)c1ccncc1

InChI Key: InChIKey=MVDBPUILKIQRDV-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 = 50296552   

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))	BDBM50296552 (CHEMBL564695 | N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-p...) Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)C1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C24H27N5O2/c30-23(16-7-13-29(14-8-16)18-4-9-25-10-5-18)26-11-3-17-15-28-21-2-1-20-19(22(17)21)6-12-27-24(20)31/h1-2,4-5,9-10,15-16,28H,3,6-8,11-14H2,(H,26,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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 in human HeLa cells by microplate scintillation counting				Bioorg Med Chem Lett 19: 4042-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.031 BindingDB Entry DOI: 10.7270/Q2WH2Q09
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