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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50248532'   
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))
BDBM50248532
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6OS2/c1-23-6-19-22-13(23)26-7-2-3-9(18)8(4-7)11(24)21-12-20-10(5-25-12)14(15,16)17/h2-6H,18H2,1H3,(H,20,21,24)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 930n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.053
BindingDB Entry DOI: 10.7270/Q2PC3285
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))
BDBM50248532
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6OS2/c1-23-6-19-22-13(23)26-7-2-3-9(18)8(4-7)11(24)21-12-20-10(5-25-12)14(15,16)17/h2-6H,18H2,1H3,(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.053
BindingDB Entry DOI: 10.7270/Q2PC3285
More data for this
Ligand-Target Pair