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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase type IV' and Ligand = 'BDBM50444409'   
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 type IV


(Rattus norvegicus)
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in Wistar rat hepatocytes assessed as nuclear to cytosolic translocation of protein by immunofluorescence assay


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50444409
PNG
(CHEMBL3091581)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r|
Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.74E+5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion


Bioorg Med Chem Lett 23: 6588-92 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX
More data for this
Ligand-Target Pair