Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306265'   

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))	BDBM50306265 (1-(2-(4-methylpiperazin-1-yl)acetyl)-2,3,9,9a-tetr...) Show SMILES CN1CCN(CC(=O)N2CCc3cccc4C(=O)NCC2c34)CC1 Show InChI InChI=1S/C18H24N4O2/c1-20-7-9-21(10-8-20)12-16(23)22-6-5-13-3-2-4-14-17(13)15(22)11-19-18(14)24/h2-4,15H,5-12H2,1H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	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))	BDBM50306265 (1-(2-(4-methylpiperazin-1-yl)acetyl)-2,3,9,9a-tetr...) Show SMILES CN1CCN(CC(=O)N2CCc3cccc4C(=O)NCC2c34)CC1 Show InChI InChI=1S/C18H24N4O2/c1-20-7-9-21(10-8-20)12-16(23)22-6-5-13-3-2-4-14-17(13)15(22)11-19-18(14)24/h2-4,15H,5-12H2,1H3,(H,19,24)	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	3.50E+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