Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50018701'   

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))	BDBM50018701 (CHEMBL3291332) Show SMILES CC(C)N1CCN(CC1)C(=O)c1sc2c([nH]c(=O)c3ccccc23)c1C Show InChI InChI=1S/C20H23N3O2S/c1-12(2)22-8-10-23(11-9-22)20(25)17-13(3)16-18(26-17)14-6-4-5-7-15(14)19(24)21-16/h4-7,12H,8-11H2,1-3H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP-1 after 1 hr by ELISA				Bioorg Med Chem Lett 24: 2669-73 (2014) Article DOI: 10.1016/j.bmcl.2014.04.061 BindingDB Entry DOI: 10.7270/Q2ZC84FM
					More data for this Ligand-Target Pair