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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 = 'BDBM50100860'   
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))
BDBM50100860
PNG
(3,4-Dihydroxy-5-phosphonomethyl-benzoic acid | CHE...)
Show SMILES OC(=O)c1cc(O)c(O)c(CP(O)(O)=O)c1
Show InChI InChI=1S/C8H9O7P/c9-6-2-4(8(11)12)1-5(7(6)10)3-16(13,14)15/h1-2,9-10H,3H2,(H,11,12)(H2,13,14,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
350n/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
3-dehydroquinate synthase


(Escherichia coli (strain K12))
BDBM50100860
PNG
(3,4-Dihydroxy-5-phosphonomethyl-benzoic acid | CHE...)
Show SMILES OC(=O)c1cc(O)c(O)c(CP(O)(O)=O)c1
Show InChI InChI=1S/C8H9O7P/c9-6-2-4(8(11)12)1-5(7(6)10)3-16(13,14)15/h1-2,9-10H,3H2,(H,11,12)(H2,13,14,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+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