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 = 'BDBM231120'   

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))	BDBM231120 (US9340549, 145) Show SMILES Cn1cc2cccc(C(=O)N[C@H]3CC[C@@H](CC3)N3[C@@H](c4ccccc4)C(C)(C)OC3=O)c2n1 |r,wU:18.19,11.10,wD:14.17,(6.09,-2.39,;6.09,-.85,;7.33,.06,;6.86,1.52,;7.63,2.85,;6.86,4.19,;5.32,4.19,;4.55,2.85,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,.19,;-1.61,.19,;-2.38,1.52,;-1.61,2.85,;-.07,2.85,;-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,;5.32,1.52,;4.84,.06,)| Show InChI InChI=1S/C26H30N4O3/c1-26(2)23(17-8-5-4-6-9-17)30(25(32)33-26)20-14-12-19(13-15-20)27-24(31)21-11-7-10-18-16-29(3)28-22(18)21/h4-11,16,19-20,23H,12-15H2,1-3H3,(H,27,31)/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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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