BDBM50296561 CHEMBL560790::N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)-1,4-diazepane-1-carboxamide

SMILES: O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCCNCC1

InChI Key: InChIKey=LHXVNDXPHWSUGM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50296561   

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 2 (Homo sapiens (Human))	BDBM50296561 (CHEMBL560790 | N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-p...) Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCCNCC1 Show InChI InChI=1S/C19H25N5O2/c25-18-15-2-3-16-17(14(15)5-8-21-18)13(12-23-16)4-7-22-19(26)24-10-1-6-20-9-11-24/h2-3,12,20,23H,1,4-11H2,(H,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
IRBM--Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP2 expressed in baculovirus system				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50296561 (CHEMBL560790 | N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-p...) Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)N1CCCNCC1 Show InChI InChI=1S/C19H25N5O2/c25-18-15-2-3-16-17(14(15)5-8-21-18)13(12-23-16)4-7-22-19(26)24-10-1-6-20-9-11-24/h2-3,12,20,23H,1,4-11H2,(H,21,25)(H,22,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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