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 = 'BDBM231138'   

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))	BDBM231138 (US9340549, 163) Show SMILES COc1ccccc1C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:18.20,11.11,wD:14.18,(5.32,5.52,;4.55,4.19,;5.32,2.85,;6.86,2.85,;7.63,1.52,;6.86,.19,;5.32,.19,;4.55,1.52,;3.01,1.52,;2.24,2.85,;2.24,.19,;.7,.19,;-.07,-1.15,;-1.61,-1.15,;-2.38,.19,;-1.61,1.52,;-.07,1.52,;-3.92,.19,;-4.83,-1.06,;-4.43,-2.55,;-5.52,-3.64,;-5.12,-5.12,;-3.63,-5.52,;-2.54,-4.43,;-2.94,-2.95,;-6.29,-.58,;-7.63,-1.35,;-7.06,-1.92,;-6.29,.96,;-4.83,1.43,;-4.06,2.77,)| Show InChI InChI=1S/C25H30N2O4/c1-25(2)22(17-9-5-4-6-10-17)27(24(29)31-25)19-15-13-18(14-16-19)26-23(28)20-11-7-8-12-21(20)30-3/h4-12,18-19,22H,13-16H2,1-3H3,(H,26,28)/t18-,19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	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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