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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50281349   
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
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281349
PNG
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)
Show SMILES OC(=O)CNCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
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PDB
Article
160n/an/a 160n/a 0.120 7.80E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase


Bioorg Med Chem Lett 3: 2863-2868 (1993)


Article DOI: 10.1016/S0960-894X(01)80780-0
BindingDB Entry DOI: 10.7270/Q2P55NF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-enolpyruvylshikimate-3-phosphate synthase


(Escherichia coli (strain K12))
BDBM50281349
PNG
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)
Show SMILES OC(=O)CNCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase versus phosphoenolpyruvate


Bioorg Med Chem Lett 3: 2863-2868 (1993)


Article DOI: 10.1016/S0960-894X(01)80780-0
BindingDB Entry DOI: 10.7270/Q2P55NF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-dehydro-3-deoxyphosphooctonate aldolase


(Neisseria meningitidis serogroup B (strain MC58))
BDBM50281349
PNG
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)
Show SMILES OC(=O)CNCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.60E+5n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Competitive inhibition of Neisseria meningitidis serotype B strain MC58 ATCC BAA355 KDO8P synthase expressed in Escherichia coli BL21 (DE3) cells usi...


Bioorg Med Chem Lett 22: 907-11 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.025
BindingDB Entry DOI: 10.7270/Q2N87B76
More data for this
Ligand-Target Pair