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SMILES: OC(=O)C(CP(O)(O)=O)=CCCCCOP(O)(O)=O

InChI Key: InChIKey=JEBDXCNCPQTINO-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50350725   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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