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SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(O[C@@H]3C[C@H](O)C3)c(F)c2n1C)NC(C)=O

InChI Key: InChIKey=GKWRKPDHHHIANS-JVNPIMRCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369706   
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))		BDBM369706
PNG
(US10233156, Example I-246)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(O[C@@H]3C[C@H](O)C3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:19.19,4.3,21.22,(7.13,-1.7,;7.13,-.16,;5.79,.61,;4.46,-.16,;3.12,.61,;3.12,2.15,;1.79,2.92,;.46,2.15,;.46,.61,;1.79,-.16,;-.88,2.92,;-2.21,2.15,;-2.37,.61,;-3.88,.29,;-4.65,-1.04,;-3.88,-2.37,;-6.19,-1.04,;-6.96,.29,;-8.5,.29,;-9.27,-1.04,;-8.87,-2.53,;-10.36,-2.93,;-11.13,-4.26,;-10.76,-1.44,;-6.19,1.63,;-6.96,2.96,;-4.65,1.63,;-3.62,2.77,;-4.02,4.26,;8.46,.61,;9.79,-.16,;11.13,.61,;9.79,-1.7,)|
Show InChI InChI=1S/C23H31F2N3O5/c1-12(26-13(2)29)11-31-15-4-6-16(7-5-15)33-23-27-21-18(24)10-19(20(25)22(21)28(23)3)32-17-8-14(30)9-17/h10,12,14-17,30H,4-9,11H2,1-3H3,(H,26,29)/t12-,14-,15-,16-,17+/m0/s1
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US Patent
n/an/a 78n/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