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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50248273'   
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))
BDBM50248273
PNG
(2-amino-4-chloro-N-(4-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1csc(NC(=O)c2ccc(Cl)cc2N)n1
Show InChI InChI=1S/C11H10ClN3OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(12)4-9(8)13/h2-5H,13H2,1H3,(H,14,15,16)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/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))
BDBM50248273
PNG
(2-amino-4-chloro-N-(4-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1csc(NC(=O)c2ccc(Cl)cc2N)n1
Show InChI InChI=1S/C11H10ClN3OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(12)4-9(8)13/h2-5H,13H2,1H3,(H,14,15,16)
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>3.00E+4n/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