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

InChI Key: InChIKey=KXLBPXWVFYUOAQ-ZOBUZTSGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369662   
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))		BDBM369662
PNG
(US10233156, Example I-201)
Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C |r,wU:9.8,4.3,wD:12.15,(10.86,-.23,;9.53,-1,;9.53,-2.54,;8.2,-.23,;6.86,-1,;6.86,-2.54,;5.53,-3.31,;5.53,-.23,;4.2,-1,;2.86,-.23,;1.53,-1,;.19,-.23,;.19,1.31,;1.53,2.08,;2.86,1.31,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,)|
Show InChI InChI=1S/C22H29F2N3O4/c1-13(28)25-14(11-23)12-29-15-3-5-17(6-4-15)31-22-26-21-19(24)9-18(30-16-7-8-16)10-20(21)27(22)2/h9-10,14-17H,3-8,11-12H2,1-2H3,(H,25,28)/t14-,15-,17-/m0/s1
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PC cid
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US Patent
n/an/a 4.70n/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