Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1 [1112-1317]' and Ligand = 'BDBM199992'   

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-1 [1112-1317] (Homo sapiens (Human))	BDBM199992 (US9227982, 9) Show SMILES O=c1[nH]c(CN(Cc2cccs2)S(=O)(=O)Cc2ccccc2)nc2CCOCc12 Show InChI InChI=1S/C20H21N3O4S2/c24-20-17-13-27-9-8-18(17)21-19(22-20)12-23(11-16-7-4-10-28-16)29(25,26)14-15-5-2-1-3-6-15/h1-7,10H,8-9,11-14H2,(H,21,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+3	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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