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 = 'BDBM231134'   

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))	BDBM231134 (US9340549, 159) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nccn2c1 |r,wU:7.8,17.22,wD:14.15,(-8.46,-.02,;-7.13,.75,;-7.9,-.58,;-7.13,2.29,;-5.66,2.77,;-4.89,4.1,;-4.76,1.52,;-5.66,.27,;-5.26,-1.21,;-6.35,-2.3,;-5.95,-3.79,;-4.47,-4.19,;-3.38,-3.1,;-3.78,-1.61,;-3.22,1.52,;-2.45,.19,;-.91,.19,;-.14,1.52,;-.91,2.85,;-2.45,2.85,;1.4,1.52,;2.17,2.85,;1.4,4.19,;3.71,2.85,;4.48,4.19,;6.02,4.19,;6.79,2.85,;8.3,2.53,;8.46,1,;7.05,.38,;6.02,1.52,;4.48,1.52,)| Show InChI InChI=1S/C25H28N4O3/c1-25(2)22(17-6-4-3-5-7-17)29(24(31)32-25)20-11-9-19(10-12-20)27-23(30)18-8-13-21-26-14-15-28(21)16-18/h3-8,13-16,19-20,22H,9-12H2,1-2H3,(H,27,30)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.56E+3	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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