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 = 'BDBM231075'   

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))	BDBM231075 (US9340549, 99) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1nccc(n1)C(N)=N |r,wU:17.22,7.8,wD:14.15,(-7.16,6.16,;-5.83,5.39,;-7.16,4.62,;-4.92,6.64,;-3.46,6.16,;-2.13,6.93,;-3.46,4.62,;-4.92,4.14,;-5.32,2.66,;-6.81,2.26,;-7.21,.77,;-6.12,-.32,;-4.63,.08,;-4.23,1.57,;-2.13,3.85,;-2.13,2.31,;-.79,1.54,;.54,2.31,;.54,3.85,;-.79,4.62,;1.87,1.54,;3.21,2.31,;4.54,1.54,;4.54,,;5.88,-.77,;3.21,-.77,;1.87,,;3.21,-2.31,;1.87,-3.08,;1.87,-4.62,;3.21,-5.39,;4.54,-4.62,;4.54,-3.08,;5.88,-5.39,;7.21,-4.62,;5.88,-6.93,)| Show InChI InChI=1S/C27H31N7O2/c1-27(2)22(17-6-4-3-5-7-17)34(26(35)36-27)19-10-8-16(9-11-19)18-14-20(24(30)32-15-18)25-31-13-12-21(33-25)23(28)29/h3-7,12-16,19,22H,8-11H2,1-2H3,(H3,28,29)(H2,30,32)/t16-,19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.3	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
					More data for this Ligand-Target Pair