Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50113453'   

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))	BDBM50113453 (CHEMBL3605980) Show SMILES NC(=O)c1cccc2CN(CCCN3CCC(CC3)N3CCCCC3)C(=O)c12 Show InChI InChI=1S/C22H32N4O2/c23-21(27)19-7-4-6-17-16-26(22(28)20(17)19)13-5-10-24-14-8-18(9-15-24)25-11-2-1-3-12-25/h4,6-7,18H,1-3,5,8-16H2,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.59E+3	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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