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

InChI Key: InChIKey=WHSVQQSDLGDELU-IHRRRGAJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369687   
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))		BDBM369687
PNG
(US10233156, Example I-227)
Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(=O)CC#N)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-5.12,3.37,;-4.73,1.88,;-3.32,1.25,;-1.98,2.02,;-.65,1.25,;-.65,-.29,;.68,-1.06,;2.02,-.29,;2.02,1.25,;.68,2.02,;3.35,-1.06,;4.68,-.29,;6.02,-1.06,;6.02,-2.6,;4.68,-3.37,;7.35,-.29,;8.68,-1.06,;8.68,-2.6,;10.02,-.29,;11.35,-1.06,;12.69,-1.83,;-3.48,-.28,;-4.99,-.6,;-5.76,-1.93,;-4.99,-3.27,;-7.3,-1.93,;-8.07,-.6,;-9.61,-.6,;-10.38,-1.93,;-11.92,-1.93,;-12.69,-3.27,;-12.69,-.6,;-7.3,.73,;-8.07,2.07,;-5.76,.73,)|
Show InChI InChI=1S/C22H25F5N4O4/c1-31-21-19(27)16(34-11-17(25)26)8-15(24)20(21)30-22(31)35-14-4-2-13(3-5-14)33-10-12(9-23)29-18(32)6-7-28/h8,12-14,17H,2-6,9-11H2,1H3,(H,29,32)/t12-,13-,14-/m0/s1
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MMDB

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n/an/a 44n/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