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Compile Data Set for Download or QSAR

Found 2 hits of ki for UniProtKB: P05194   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-dehydroquinate dehydratase


(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
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)


BindingDB Entry DOI: 10.7270/Q2ST7QBV
More data for this
Ligand-Target Pair
3-dehydroquinate dehydratase


(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
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)


BindingDB Entry DOI: 10.7270/Q2ST7QBV
More data for this
Ligand-Target Pair