BDBM50296563 4-benzyl-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)-1,4-diazepane-1-carboxamide::CHEMBL559043

SMILES: O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCCN(Cc2ccccc2)CC1

InChI Key: InChIKey=RVBSZVJPQWPDBW-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 = 50296563   

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))	BDBM50296563 (4-benzyl-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo...) Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H31N5O2/c32-25-22-7-8-23-24(21(22)10-12-27-25)20(17-29-23)9-11-28-26(33)31-14-4-13-30(15-16-31)18-19-5-2-1-3-6-19/h1-3,5-8,17,29H,4,9-16,18H2,(H,27,32)(H,28,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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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