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 = 'BDBM200003'   

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))	BDBM200003 (US9227982, 22) Show SMILES O=C(CCc1ccccc1)N(Cc1cncs1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N4O3S/c26-20(7-6-15-4-2-1-3-5-15)25(11-16-10-22-14-29-16)12-19-23-18-8-9-28-13-17(18)21(27)24-19/h1-5,10,14H,6-9,11-13H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+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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