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

InChI Key: InChIKey=PVMDFWHYRNKTAS-XIRDDKMYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369704   
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))		BDBM369704
PNG
(US10233156, Example I-244)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(C)(C)C#N)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(8.12,-2.65,;8.12,-1.11,;6.79,-.34,;5.45,-1.11,;4.12,-.34,;4.12,1.2,;2.79,1.97,;1.45,1.2,;1.45,-.34,;2.79,-1.11,;.12,1.97,;-1.21,1.2,;-1.38,-.33,;-2.88,-.65,;-3.65,-1.98,;-2.88,-3.32,;-5.19,-1.98,;-5.96,-.65,;-7.5,-.65,;-8.27,-1.98,;-9.81,-1.98,;-9.81,-.44,;-11.15,-1.21,;-10.58,-3.32,;-12.12,-3.32,;-5.19,.68,;-5.96,2.02,;-3.65,.68,;-2.62,1.83,;-3.02,3.32,;9.45,-.34,;10.79,-1.11,;12.12,-.34,;10.79,-2.65,)|
Show InChI InChI=1S/C24H32F2N4O4/c1-14(28-15(2)31)11-32-16-6-8-17(9-7-16)34-23-29-21-18(25)10-19(20(26)22(21)30(23)5)33-13-24(3,4)12-27/h10,14,16-17H,6-9,11,13H2,1-5H3,(H,28,31)/t14-,16-,17-/m0/s1
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MMDB

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n/an/a 26n/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