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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50248489'   
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))
BDBM50248489
PNG
(CHEMBL491322 | ethyl 2-(2-amino-5-(4-methyl-4H-1,2...)
Show SMILES CCOC(=O)c1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1
Show InChI InChI=1S/C16H16N6O3S2/c1-3-25-14(24)12-7-26-15(19-12)20-13(23)10-6-9(4-5-11(10)17)27-16-21-18-8-22(16)2/h4-8H,3,17H2,1-2H3,(H,19,20,23)
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PC cid
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Similars

Article
PubMed
n/an/an/an/a 420n/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))
BDBM50248489
PNG
(CHEMBL491322 | ethyl 2-(2-amino-5-(4-methyl-4H-1,2...)
Show SMILES CCOC(=O)c1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1
Show InChI InChI=1S/C16H16N6O3S2/c1-3-25-14(24)12-7-26-15(19-12)20-13(23)10-6-9(4-5-11(10)17)27-16-21-18-8-22(16)2/h4-8H,3,17H2,1-2H3,(H,19,20,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

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