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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase'   
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
Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase


(Homo sapiens)
BDBM50517253
PNG
(CHEMBL4435406)
Show SMILES OC(=O)c1cccc(n1)C(=O)N1CCCC1
Show InChI InChI=1S/C11H12N2O3/c14-10(13-6-1-2-7-13)8-4-3-5-9(12-8)11(15)16/h3-5H,1-2,6-7H2,(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.00E+4n/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human MNK expressed in Escherichia coli BL21(DE3) in presence of ATP by 9F-NMR spectroscopy analysis


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase


(Homo sapiens)
BDBM50517252
PNG
(CHEMBL4457121)
Show SMILES OC(=O)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.00E+5n/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human MNK expressed in Escherichia coli BL21(DE3) in presence of ATP by 9F-NMR spectroscopy analysis


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair