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BDBM306973 US10150728, Example I-186

SMILES: CCOc1nc2cc(F)c(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1

InChI Key: InChIKey=UXMRRCOJTXTPKO-UBHSHLNASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 306973   
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))		BDBM306973
PNG
(US10150728, Example I-186)
Show SMILES CCOc1nc2cc(F)c(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:14.17,19.20,wD:11.10,(-8.25,3.8,;-9.59,3.03,;-9.59,1.49,;-8.25,.72,;-8.09,-.81,;-6.58,-1.13,;-5.81,-2.47,;-4.27,-2.47,;-3.5,-3.8,;-3.5,-1.13,;-1.96,-1.13,;-.42,-1.13,;.35,-2.47,;1.89,-2.47,;2.66,-1.13,;1.89,.2,;.35,.2,;4.2,-1.13,;4.97,.2,;6.51,.2,;7.28,-1.13,;7.28,1.54,;8.82,1.54,;9.59,2.87,;9.59,.2,;-4.27,.2,;-5.81,.2,;-6.84,1.35,)|
Show InChI InChI=1S/C19H26FN3O4S/c1-4-25-19-22-16-9-15(20)17(23-18(16)28-19)27-14-7-5-13(6-8-14)26-10-11(2)21-12(3)24/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,24)/t11-,13-,14-/m0/s1
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US Patent
n/an/a 5n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...

US Patent US10150728 (2018)


BindingDB Entry DOI: 10.7270/Q2WD42M7
More data for this
Ligand-Target Pair