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PubMed code 24583379

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase-4


(Homo sapiens (Human))
BDBM50161674
PNG
(3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)
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Article
PubMed
n/an/an/an/a 2.67E+4n/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin) using glucose as substrate


Eur J Med Chem 76: 182-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.024
BindingDB Entry DOI: 10.7270/Q28917CD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))
BDBM50165031
PNG
(6-({3-isopropoxy-5-[2-(3-thienyl)ethoxy]benzoyl}am...)
Show SMILES CC(C)Oc1cc(OCCc2ccsc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-14(2)29-19-10-17(9-18(11-19)28-7-5-15-6-8-30-13-15)21(25)24-20-4-3-16(12-23-20)22(26)27/h3-4,6,8-14H,5,7H2,1-2H3,(H,26,27)(H,23,24,25)
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KEGG

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antibodypedia
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MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin) using glucose as substrate


Eur J Med Chem 76: 182-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.024
BindingDB Entry DOI: 10.7270/Q28917CD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%