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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50300593'   
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))
BDBM50300593
PNG
(3-methyl-2-(4-(1-methyl-1H-pyrazol-3-ylamino)quina...)
Show SMILES Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
Show InChI InChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25)
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Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))
BDBM50300593
PNG
(3-methyl-2-(4-(1-methyl-1H-pyrazol-3-ylamino)quina...)
Show SMILES Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
Show InChI InChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair