Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50341873'   

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))	BDBM50341873 (5-(Adamantan-1-ylcarboxamido)isoquinolin-1-one | C...) Show SMILES O=C(Nc1cccc2c1cc[nH]c2=O)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,1:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H22N2O2/c23-18-16-2-1-3-17(15(16)4-5-21-18)22-19(24)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14H,6-11H2,(H,21,23)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay				J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC
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