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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Type 1 dehydroquinase' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
Type 1 dehydroquinase


(Escherichia coli (strain K12))
BDBM50086505
PNG
(2-Fluoro-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxy...)
Show SMILES OC1CC(O)(C(F)C(=O)C1O)C([O-])=O
Show InChI InChI=1S/C7H9FO6/c8-5-4(11)3(10)2(9)1-7(5,14)6(12)13/h2-3,5,9-10,14H,1H2,(H,12,13)/p-1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
8.00E+4n/an/an/an/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Tested for the binding affinity against dehydroquinase


Bioorg Med Chem Lett 10: 407-9 (2000)

More data for this
Ligand-Target Pair
Type 1 dehydroquinase


(Escherichia coli (strain K12))
BDBM50086504
PNG
(2-Bromo-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxyl...)
Show SMILES OC1CC(O)(C(Br)C(=O)C1O)C([O-])=O
Show InChI InChI=1S/C7H9BrO6/c8-5-4(11)3(10)2(9)1-7(5,14)6(12)13/h2-3,5,9-10,14H,1H2,(H,12,13)/p-1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
3.70E+6n/an/an/an/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Tested for the binding affinity against dehydroquinase


Bioorg Med Chem Lett 10: 407-9 (2000)

More data for this
Ligand-Target Pair