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 = 'BDBM50434156'   

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))	BDBM50434156 (CHEMBL2381945 | US9340549, 103) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)c(cc2[nH]c1=O)C#N |r,wU:17.22,7.8,wD:14.15,(18.3,-25.15,;19.08,-23.82,;17.54,-23.81,;19.09,-22.28,;20.55,-21.8,;21.03,-20.34,;21.46,-23.05,;20.55,-24.3,;21.38,-25.59,;20.67,-26.95,;21.5,-28.25,;23.04,-28.18,;23.75,-26.81,;22.91,-25.51,;23,-23.05,;23.77,-24.39,;25.31,-24.39,;26.08,-23.05,;25.3,-21.71,;23.76,-21.72,;27.62,-23.05,;28.53,-24.29,;28.21,-25.79,;29.35,-26.82,;29.03,-28.33,;30.82,-26.34,;31.13,-24.84,;29.99,-23.81,;29.99,-22.27,;28.52,-21.8,;28.04,-20.33,;31.97,-27.36,;33.12,-28.39,)| Show InChI InChI=1S/C25H25FN4O3/c1-25(2)22(15-6-4-3-5-7-15)30(24(32)33-25)18-10-8-17(9-11-18)29-21-13-19(26)16(14-27)12-20(21)28-23(29)31/h3-7,12-13,17-18,22H,8-11H2,1-2H3,(H,28,31)/t17-,18-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.48	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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