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SMILES: Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(N)=O)nc2c(F)cc(OCC(F)F)c(F)c12

InChI Key: InChIKey=JXASVFYXQJCKJE-SRVKXCTJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369692   
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))		BDBM369692
PNG
(US10233156, Example I-232)
Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(N)=O)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-3.79,3.37,;-3.39,1.88,;-1.98,1.25,;-.65,2.02,;.68,1.25,;.68,-.29,;2.02,-1.06,;3.35,-.29,;3.35,1.25,;2.02,2.02,;4.68,-1.06,;6.02,-.29,;7.35,-1.06,;7.35,-2.6,;6.02,-3.37,;8.68,-.29,;10.02,-1.06,;11.35,-.29,;10.02,-2.6,;-2.15,-.28,;-3.65,-.6,;-4.42,-1.93,;-3.65,-3.27,;-5.96,-1.93,;-6.73,-.6,;-8.27,-.6,;-9.04,-1.93,;-10.58,-1.93,;-11.35,-3.27,;-11.35,-.6,;-5.96,.73,;-6.73,2.07,;-4.42,.73,)|
Show InChI InChI=1S/C20H25F5N4O4/c1-29-18-16(25)14(32-9-15(23)24)6-13(22)17(18)28-20(29)33-12-4-2-11(3-5-12)31-8-10(7-21)27-19(26)30/h6,10-12,15H,2-5,7-9H2,1H3,(H3,26,27,30)/t10-,11-,12-/m0/s1
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MMDB

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n/an/a 11n/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