Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2 [959-1164]' and Ligand = 'BDBM50439802'   

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 tankyrase-2 [959-1164] (Homo sapiens (Human))	BDBM50439802 (CHEMBL2419695 | US9227982, 8) Show SMILES Oc1ccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C22H23N3O4S/c26-16-6-3-15(4-7-16)5-8-21(27)25(12-17-2-1-11-30-17)13-20-23-19-9-10-29-14-18(19)22(28)24-20/h1-4,6-7,11,26H,5,8-10,12-14H2,(H,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9227982 (2016) BindingDB Entry DOI: 10.7270/Q21R6PBJ
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