null

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1Cc2cc(ccc2NC1=O)C#N

InChI Key: InChIKey=MGQHHUPMUNRZHL-FUDKSRODSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 231043   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM231043 (US9340549, 62) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1Cc2cc(ccc2NC1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-8.01,-.02,;-6.68,.75,;-7.45,-.58,;-6.68,2.29,;-5.21,2.77,;-4.44,4.1,;-4.31,1.52,;-5.21,.27,;-4.81,-1.21,;-5.9,-2.3,;-5.51,-3.79,;-4.02,-4.19,;-2.93,-3.1,;-3.33,-1.61,;-2.77,1.52,;-2,.19,;-.46,.19,;.31,1.52,;-.46,2.85,;-2,2.85,;1.85,1.52,;2.62,.19,;4.16,.19,;4.93,-1.15,;6.47,-1.15,;7.24,.19,;6.47,1.52,;4.93,1.52,;4.16,2.85,;2.62,2.85,;1.85,4.19,;7.24,-2.48,;8.01,-3.81,)| Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(18-6-4-3-5-7-18)30(25(32)33-26)21-11-9-20(10-12-21)29-16-19-14-17(15-27)8-13-22(19)28-24(29)31/h3-8,13-14,20-21,23H,9-12,16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.63	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