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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-dehydroquinate synthase' and Ligand = 'BDBM50100861'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-dehydroquinate synthase


(Escherichia coli (strain K12))
BDBM50100861
PNG
(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Show SMILES OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
KEGG

UniProtKB/SwissProt

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CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition constant for binding to Co2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coli


Bioorg Med Chem Lett 11: 1493-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00065-8
BindingDB Entry DOI: 10.7270/Q2S75FMH
More data for this
Ligand-Target Pair
3-dehydroquinate synthase


(Escherichia coli (strain K12))
BDBM50100861
PNG
(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Show SMILES OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.50E+4n/an/an/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition constant for binding to Zn2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coli


Bioorg Med Chem Lett 11: 1493-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00065-8
BindingDB Entry DOI: 10.7270/Q2S75FMH
More data for this
Ligand-Target Pair