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 = 'BDBM231141'   

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))	BDBM231141 (US9340549, 166) Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.18,9.9,wD:12.16,(7.94,1.31,;6.6,2.08,;5.14,1.61,;4.23,2.85,;5.14,4.1,;6.6,3.62,;2.69,2.85,;1.93,4.19,;1.93,1.52,;.38,1.52,;-.38,.19,;-1.93,.19,;-2.69,1.52,;-1.93,2.85,;-.38,2.85,;-4.23,1.52,;-5.14,.27,;-4.74,-1.21,;-5.83,-2.3,;-5.43,-3.79,;-3.94,-4.19,;-2.86,-3.1,;-3.25,-1.61,;-6.6,.75,;-7.94,-.02,;-7.37,-.58,;-6.6,2.29,;-5.14,2.77,;-4.37,4.1,)| Show InChI InChI=1S/C22H27N3O3S/c1-14-23-18(13-29-14)20(26)24-16-9-11-17(12-10-16)25-19(15-7-5-4-6-8-15)22(2,3)28-21(25)27/h4-8,13,16-17,19H,9-12H2,1-3H3,(H,24,26)/t16-,17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>4.63E+4	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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