Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50165493'   

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))	BDBM50165493 (CHEMBL193638 | [3-(4-Oxo-3,4-dihydro-phthalazin-1-...) Show SMILES CCOC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C18H17N3O3/c1-2-24-18(23)19-13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)17(22)21-20-16/h3-10H,2,11H2,1H3,(H,19,23)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Horsham Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1)				Bioorg Med Chem Lett 15: 2235-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.026 BindingDB Entry DOI: 10.7270/Q2QV3M0B
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