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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50248270'   
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))
BDBM50248270
PNG
(2-amino-5-chloro-N-(thiazol-2-yl)benzamide | CHEMB...)
Show SMILES Nc1ccc(Cl)cc1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H8ClN3OS/c11-6-1-2-8(12)7(5-6)9(15)14-10-13-3-4-16-10/h1-5H,12H2,(H,13,14,15)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.60E+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 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))
BDBM50248270
PNG
(2-amino-5-chloro-N-(thiazol-2-yl)benzamide | CHEMB...)
Show SMILES Nc1ccc(Cl)cc1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H8ClN3OS/c11-6-1-2-8(12)7(5-6)9(15)14-10-13-3-4-16-10/h1-5H,12H2,(H,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+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