Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50445827'   

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))	BDBM50445827 (CHEMBL3105399) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C19H22N4O3/c24-17(22-9-11-23(12-10-22)19(26)13-5-6-13)8-7-16-20-15-4-2-1-3-14(15)18(25)21-16/h1-4,13H,5-12H2,(H,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445827 (CHEMBL3105399) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C19H22N4O3/c24-17(22-9-11-23(12-10-22)19(26)13-5-6-13)8-7-16-20-15-4-2-1-3-14(15)18(25)21-16/h1-4,13H,5-12H2,(H,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	707	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by D...				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair