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

InChI Key: InChIKey=IRJOPRZRJGLPAJ-DRZSPHRISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369691   
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))		BDBM369691
PNG
(US10233156, Example I-231)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC(F)F)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.97,-2.65,;6.97,-1.11,;5.63,-.34,;4.3,-1.11,;2.97,-.34,;2.97,1.2,;1.63,1.97,;.3,1.2,;.3,-.34,;1.63,-1.11,;-1.04,1.97,;-2.37,1.2,;-2.53,-.33,;-4.04,-.65,;-4.81,-1.98,;-4.04,-3.32,;-6.35,-1.98,;-7.12,-.65,;-8.66,-.65,;-9.43,-1.98,;-10.97,-1.98,;-8.66,-3.32,;-6.35,.68,;-7.12,2.02,;-4.81,.68,;-3.78,1.83,;-4.18,3.32,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,)|
Show InChI InChI=1S/C20H25F4N3O4/c1-10(25-11(2)28)9-29-12-4-6-13(7-5-12)30-20-26-17-14(21)8-15(31-19(23)24)16(22)18(17)27(20)3/h8,10,12-13,19H,4-7,9H2,1-3H3,(H,25,28)/t10-,12-,13-/m0/s1
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n/an/a 10n/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