Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]' and Ligand = 'BDBM231131'   

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 [1091-1325] (Homo sapiens (Human))	BDBM231131 (US9340549, 156) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)| Show InChI InChI=1S/C27H29N3O3S/c1-27(2)23(18-9-5-3-6-10-18)30(26(32)33-27)21-15-13-20(14-16-21)28-24(31)22-17-34-25(29-22)19-11-7-4-8-12-19/h3-12,17,20-21,23H,13-16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.18	n/a	n/a	n/a	n/a	n/a	25
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
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