Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306274'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50306274 (7-oxo-N-phenyl-2,3,7,8,9,9a-hexahydro-1H-benzo[de]...) Show SMILES O=C(Nc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H17N3O2/c22-17-14-8-4-5-12-9-10-21(15(11-19-17)16(12)14)18(23)20-13-6-2-1-3-7-13/h1-8,15H,9-11H2,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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))	BDBM50306274 (7-oxo-N-phenyl-2,3,7,8,9,9a-hexahydro-1H-benzo[de]...) Show SMILES O=C(Nc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H17N3O2/c22-17-14-8-4-5-12-9-10-21(15(11-19-17)16(12)14)18(23)20-13-6-2-1-3-7-13/h1-8,15H,9-11H2,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+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