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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-dehydroquinate dehydratase' and Ligand = 'BDBM50137057'   
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
3-dehydroquinate dehydratase


(Streptomyces coelicolor)
BDBM50137057
PNG
((1R,4R,5R)-1-Benzyloxy-4,5-dihydroxy-cyclohex-2-en...)
Show SMILES O[C@@H]1C[C@@](OCc2ccccc2)(C=C[C@H]1O)C(O)=O |c:13|
Show InChI InChI=1S/C14H16O5/c15-11-6-7-14(13(17)18,8-12(11)16)19-9-10-4-2-1-3-5-10/h1-7,11-12,15-16H,8-9H2,(H,17,18)/t11-,12-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.80E+5n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.


J Med Chem 46: 5735-44 (2003)


Article DOI: 10.1021/jm030987q
BindingDB Entry DOI: 10.7270/Q2ZS2VW0
More data for this
Ligand-Target Pair