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 = 'BDBM231061'   

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))	BDBM231061 (US9340549, 84) Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:14.15,wD:17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)| Show InChI InChI=1S/C25H27N3O3/c1-25(2)21(17-9-5-3-6-10-17)28(24(29)31-25)20-15-13-19(14-16-20)23-27-26-22(30-23)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	473	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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