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SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3(C)COC3)c(F)c2n1C)NC(C)=O

InChI Key: InChIKey=TYSWAWNSYAWAHP-BPUTZDHNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369664   
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))		BDBM369664
PNG
(US10233156, Example I-203)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3(C)COC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.25,-2.65,;7.25,-1.11,;5.91,-.34,;4.58,-1.11,;3.25,-.34,;3.25,1.2,;1.91,1.97,;.58,1.2,;.58,-.34,;1.91,-1.11,;-.75,1.97,;-2.09,1.2,;-2.25,-.33,;-3.76,-.65,;-4.53,-1.98,;-3.76,-3.32,;-6.07,-1.98,;-6.84,-.65,;-8.38,-.65,;-9.15,-1.98,;-7.81,-2.75,;-10.48,-1.21,;-11.25,-2.55,;-9.92,-3.32,;-6.07,.68,;-6.84,2.02,;-4.53,.68,;-3.49,1.83,;-3.89,3.32,;8.58,-.34,;9.92,-1.11,;11.25,-.34,;9.92,-2.65,)|
Show InChI InChI=1S/C23H31F2N3O5/c1-13(26-14(2)29)10-31-15-5-7-16(8-6-15)32-22-27-20-17(24)9-18(19(25)21(20)28(22)4)33-23(3)11-30-12-23/h9,13,15-16H,5-8,10-12H2,1-4H3,(H,26,29)/t13-,15-,16-/m0/s1
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MMDB

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n/an/a 110n/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