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SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CC3)cc2n1C)C#N)NC(C)=O

InChI Key: InChIKey=VDORNDWZNAREGA-FNHZYXHNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369685   
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))		BDBM369685
PNG
(US10233156, Example I-225)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CC3)cc2n1C)C#N)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-1.98,;6.86,-.44,;5.53,.33,;4.2,-.44,;2.86,.33,;2.86,1.87,;1.53,2.64,;.19,1.87,;.19,.33,;1.53,-.44,;-1.14,2.64,;-2.47,1.87,;-2.63,.34,;-4.14,.02,;-4.91,-1.32,;-6.45,-1.32,;-7.22,.02,;-8.76,.02,;-9.53,-1.32,;-10.86,-2.09,;-9.53,-2.86,;-6.45,1.35,;-4.91,1.35,;-3.88,2.5,;-4.28,3.98,;-4.14,-2.65,;-4.91,-3.98,;8.2,.33,;9.53,-.44,;10.86,.33,;9.53,-1.98,)|
Show InChI InChI=1S/C23H30N4O4/c1-14(25-15(2)28)13-29-17-4-6-19(7-5-17)31-23-26-22-16(12-24)10-20(30-18-8-9-18)11-21(22)27(23)3/h10-11,14,17-19H,4-9,13H2,1-3H3,(H,25,28)/t14-,17-,19-/m0/s1
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US Patent
n/an/a 33n/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