Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306249'   

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))	BDBM50306249 (1-(2-(4-(benzyloxy)phenyl)acetyl)-2,3,9,9a-tetrahy...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C26H24N2O3/c29-24(15-18-9-11-21(12-10-18)31-17-19-5-2-1-3-6-19)28-14-13-20-7-4-8-22-25(20)23(28)16-27-26(22)30/h1-12,23H,13-17H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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))	BDBM50306249 (1-(2-(4-(benzyloxy)phenyl)acetyl)-2,3,9,9a-tetrahy...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C26H24N2O3/c29-24(15-18-9-11-21(12-10-18)31-17-19-5-2-1-3-6-19)28-14-13-20-7-4-8-22-25(20)23(28)16-27-26(22)30/h1-12,23H,13-17H2,(H,27,30)	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	580	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