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 = 'BDBM231053'   

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))	BDBM231053 (US9340549, 75) Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,wD:7.8,14.15,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)| Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	174	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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