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 = 'BDBM231119'   

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))	BDBM231119 (US9340549, 144) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.21,wD:20.23,13.14,(6.09,-2.39,;6.09,-.85,;4.84,.06,;5.32,1.52,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,2.85,;-1.61,2.85,;-2.38,1.52,;-1.61,.19,;-.07,.19,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-6.29,.75,;-7.63,-.02,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,)| Show InChI InChI=1S/C26H30N4O3/c1-26(2)23(17-8-5-4-6-9-17)30(25(32)33-26)19-14-12-18(13-15-19)27-24(31)20-10-7-11-22-21(20)16-29(3)28-22/h4-11,16,18-19,23H,12-15H2,1-3H3,(H,27,31)/t18-,19-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	222	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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