Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50110835'   

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))	BDBM50110835 (CHEMBL3605990) Show SMILES CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C15H19N3O2/c1-17-7-5-11(6-8-17)18-9-10-3-2-4-12(14(16)19)13(10)15(18)20/h2-4,11H,5-9H2,1H3,(H2,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
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