BDBM50322365 (R)-3-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-5-methylisoquinolin-1(2H)-one::CHEMBL1170695

SMILES: Cc1cccc2c1cc(CCN1CCC[C@@H]1CO)[nH]c2=O

InChI Key: InChIKey=JIODGUURCXVIDC-CQSZACIVSA-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 = 50322365   

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))	BDBM50322365 ((R)-3-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-...) Show SMILES Cc1cccc2c1cc(CCN1CCC[C@@H]1CO)[nH]c2=O |r| Show InChI InChI=1S/C17H22N2O2/c1-12-4-2-6-15-16(12)10-13(18-17(15)21)7-9-19-8-3-5-14(19)11-20/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,18,21)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Brain Science Institute Curated by ChEMBL					Assay Description Inhibition of PARP1				J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0
					More data for this Ligand-Target Pair