BDBM50306268 CHEMBL595680::N,N-dimethyl-4-oxo-4-(7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl)butanamide

SMILES: CN(C)C(=O)CCC(=O)N1CCc2cccc3C(=O)NCC1c23

InChI Key: InChIKey=HRFMEINHGNOYPO-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50306268   

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))	BDBM50306268 (CHEMBL595680 | N,N-dimethyl-4-oxo-4-(7-oxo-2,3,7,8...) Show SMILES CN(C)C(=O)CCC(=O)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C17H21N3O3/c1-19(2)14(21)6-7-15(22)20-9-8-11-4-3-5-12-16(11)13(20)10-18-17(12)23/h3-5,13H,6-10H2,1-2H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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 PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306268 (CHEMBL595680 | N,N-dimethyl-4-oxo-4-(7-oxo-2,3,7,8...) Show SMILES CN(C)C(=O)CCC(=O)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C17H21N3O3/c1-19(2)14(21)6-7-15(22)20-9-8-11-4-3-5-12-16(11)13(20)10-18-17(12)23/h3-5,13H,6-10H2,1-2H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	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 assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair