BDBM50296543 1-(2-(benzylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one::CHEMBL571900

SMILES: O=C1NCCc2c1ccc1[nH]cc(CCNCc3ccccc3)c21

InChI Key: InChIKey=PPOZJOPYBNSFPF-UHFFFAOYSA-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 = 50296543   

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))	BDBM50296543 (1-(2-(benzylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,...) Show SMILES O=C1NCCc2c1ccc1[nH]cc(CCNCc3ccccc3)c21 Show InChI InChI=1S/C20H21N3O/c24-20-17-6-7-18-19(16(17)9-11-22-20)15(13-23-18)8-10-21-12-14-4-2-1-3-5-14/h1-7,13,21,23H,8-12H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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
					More data for this Ligand-Target Pair