BDBM50296542 1-(2-(cyclohexylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one::CHEMBL558056

SMILES: O=C1NCCc2c1ccc1[nH]cc(CCNC3CCCCC3)c21

InChI Key: InChIKey=IBXVMVQPTZTSMW-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 = 50296542   

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))	BDBM50296542 (1-(2-(cyclohexylamino)ethyl)-8,9-dihydro-3H-pyrrol...) Show SMILES O=C1NCCc2c1ccc1[nH]cc(CCNC3CCCCC3)c21 Show InChI InChI=1S/C19H25N3O/c23-19-16-6-7-17-18(15(16)9-11-21-19)13(12-22-17)8-10-20-14-4-2-1-3-5-14/h6-7,12,14,20,22H,1-5,8-11H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	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