Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306266'   

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))	BDBM50306266 (1-(2-(4-phenylpiperazin-1-yl)acetyl)-2,3,9,9a-tetr...) Show SMILES O=C(CN1CCN(CC1)c1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C23H26N4O2/c28-21(16-25-11-13-26(14-12-25)18-6-2-1-3-7-18)27-10-9-17-5-4-8-19-22(17)20(27)15-24-23(19)29/h1-8,20H,9-16H2,(H,24,29)	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))	BDBM50306266 (1-(2-(4-phenylpiperazin-1-yl)acetyl)-2,3,9,9a-tetr...) Show SMILES O=C(CN1CCN(CC1)c1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C23H26N4O2/c28-21(16-25-11-13-26(14-12-25)18-6-2-1-3-7-18)27-10-9-17-5-4-8-19-22(17)20(27)15-24-23(19)29/h1-8,20H,9-16H2,(H,24,29)	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	440	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