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SMILES: COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O

InChI Key: InChIKey=ONHAZCJPHPIFHW-ZDUSSCGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344141   
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
Hexokinase-4


(Homo sapiens (Human))		BDBM50344141
PNG
((S)-6-(3-(3,5-difluorophenoxy)-5-(1-methoxypropan-...)
Show SMILES COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r|
Show InChI InChI=1S/C23H20F2N2O6/c1-13(12-31-2)32-18-5-15(22(28)27-21-4-3-14(11-26-21)23(29)30)6-19(10-18)33-20-8-16(24)7-17(25)9-20/h3-11,13H,12H2,1-2H3,(H,29,30)(H,26,27,28)/t13-/m0/s1
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Article
PubMed
n/an/an/an/a 90n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically

Bioorg Med Chem Lett 21: 3467-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.093
BindingDB Entry DOI: 10.7270/Q2Z038HG
More data for this
Ligand-Target Pair