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SMILES: COC[C@H](C)Oc1cc(Oc2cccc(Cl)c2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O

InChI Key: InChIKey=CFDAWJAORVZEEH-AWEZNQCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344156   
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))		BDBM50344156
PNG
((S)-6-(3-(3-chlorophenoxy)-5-(1-methoxypropan-2-yl...)
Show SMILES COC[C@H](C)Oc1cc(Oc2cccc(Cl)c2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r|
Show InChI InChI=1S/C23H21ClN2O6/c1-14(13-30-2)31-19-8-16(9-20(11-19)32-18-5-3-4-17(24)10-18)22(27)26-21-7-6-15(12-25-21)23(28)29/h3-12,14H,13H2,1-2H3,(H,28,29)(H,25,26,27)/t14-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 110n/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