BDBM50306277 CHEMBL595694::benzyl 7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridine-1-carboxylate

SMILES: O=C(OCc1ccccc1)N1CCc2cccc3C(=O)NCC1c23

InChI Key: InChIKey=DTGYQLDLIIBHHF-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 = 50306277   

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))	BDBM50306277 (CHEMBL595694 | benzyl 7-oxo-2,3,7,8,9,9a-hexahydro...) Show SMILES O=C(OCc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C19H18N2O3/c22-18-15-8-4-7-14-9-10-21(16(11-20-18)17(14)15)19(23)24-12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	130	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306277 (CHEMBL595694 | benzyl 7-oxo-2,3,7,8,9,9a-hexahydro...) Show SMILES O=C(OCc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C19H18N2O3/c22-18-15-8-4-7-14-9-10-21(16(11-20-18)17(14)15)19(23)24-12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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