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SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC3(F)COC3)c(F)c2n1C)NC(C)=O

InChI Key: InChIKey=YZIRWSMKGKYJFZ-BPUTZDHNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369656   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM369656
PNG
(US10233156, Example I-195)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC3(F)COC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(8.06,-2.65,;8.06,-1.11,;6.72,-.34,;5.39,-1.11,;4.05,-.34,;4.05,1.2,;2.72,1.97,;1.39,1.2,;1.39,-.34,;2.72,-1.11,;.05,1.97,;-1.28,1.2,;-1.44,-.33,;-2.95,-.65,;-3.72,-1.98,;-2.95,-3.32,;-5.26,-1.98,;-6.03,-.65,;-7.57,-.65,;-8.34,-1.98,;-9.88,-1.98,;-9.88,-.44,;-10.97,-.89,;-12.06,-1.98,;-10.97,-3.07,;-5.26,.68,;-6.03,2.02,;-3.72,.68,;-2.69,1.83,;-3.09,3.32,;9.39,-.34,;10.72,-1.11,;12.06,-.34,;10.72,-2.65,)|
Show InChI InChI=1S/C23H30F3N3O5/c1-13(27-14(2)30)9-32-15-4-6-16(7-5-15)34-22-28-20-17(24)8-18(19(25)21(20)29(22)3)33-12-23(26)10-31-11-23/h8,13,15-16H,4-7,9-12H2,1-3H3,(H,27,30)/t13-,15-,16-/m0/s1
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MMDB

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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...

J Med Chem 50: 641-62 (2007)


BindingDB Entry DOI: 10.7270/Q2C53P4Z
More data for this
Ligand-Target Pair