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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 50003492   
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
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive


(Escherichia coli (strain K12))
BDBM50350727
PNG
(CHEMBL1818159)
Show SMILES OC(=O)C(CCCCCBr)=CP(O)(O)=O |w:10.10|
Show InChI InChI=1S/C8H14BrO5P/c9-5-3-1-2-4-7(8(10)11)6-15(12,13)14/h6H,1-5H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Escherichia coli DAH7P synthase using PEP as substrate by Michaelis-Menten equation analysis using UV-visible s...


Bioorg Med Chem Lett 21: 5092-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.071
BindingDB Entry DOI: 10.7270/Q2KW5GDX
More data for this
Ligand-Target Pair
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive


(Escherichia coli (strain K12))
BDBM50350723
PNG
(CHEMBL1255768 | CHEMBL1818156)
Show SMILES CC(=CP(O)(O)=O)C(O)=O |w:2.2|
Show InChI InChI=1S/C4H7O5P/c1-3(4(5)6)2-10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DAH7P synthase


Bioorg Med Chem Lett 21: 5092-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.071
BindingDB Entry DOI: 10.7270/Q2KW5GDX
More data for this
Ligand-Target Pair
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive


(Escherichia coli (strain K12))
BDBM50350725
PNG
(CHEMBL1818157 | CHEMBL1818158)
Show SMILES OC(=O)C(CP(O)(O)=O)=CCCCCOP(O)(O)=O |w:9.9|
Show InChI InChI=1S/C8H16O9P2/c9-8(10)7(6-18(11,12)13)4-2-1-3-5-17-19(14,15)16/h4H,1-3,5-6H2,(H,9,10)(H2,11,12,13)(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.30E+3n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Escherichia coli DAH7P synthase using PEP as substrate by Michaelis-Menten equation analysis using UV-visible s...


Bioorg Med Chem Lett 21: 5092-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.071
BindingDB Entry DOI: 10.7270/Q2KW5GDX
More data for this
Ligand-Target Pair
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive


(Escherichia coli (strain K12))
BDBM50350725
PNG
(CHEMBL1818157 | CHEMBL1818158)
Show SMILES OC(=O)C(CP(O)(O)=O)=CCCCCOP(O)(O)=O |w:9.9|
Show InChI InChI=1S/C8H16O9P2/c9-8(10)7(6-18(11,12)13)4-2-1-3-5-17-19(14,15)16/h4H,1-3,5-6H2,(H,9,10)(H2,11,12,13)(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.54E+5n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Escherichia coli DAH7P synthase using PEP as substrate by Michaelis-Menten equation analysis using UV-visible s...


Bioorg Med Chem Lett 21: 5092-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.071
BindingDB Entry DOI: 10.7270/Q2KW5GDX
More data for this
Ligand-Target Pair
Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive


(Escherichia coli (strain K12))
BDBM50350723
PNG
(CHEMBL1255768 | CHEMBL1818156)
Show SMILES CC(=CP(O)(O)=O)C(O)=O |w:2.2|
Show InChI InChI=1S/C4H7O5P/c1-3(4(5)6)2-10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
2.70E+5n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DAH7P synthase


Bioorg Med Chem Lett 21: 5092-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.071
BindingDB Entry DOI: 10.7270/Q2KW5GDX
More data for this
Ligand-Target Pair