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PubMed code 22204912

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
2-dehydro-3-deoxyphosphooctonate aldolase


(Neisseria meningitidis serogroup B (strain MC58))
BDBM50362546
PNG
(CHEMBL1938424)
Show SMILES OC(=O)C(CCCCCCOP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C8H18O10P2/c9-8(10)7(18-20(14,15)16)5-3-1-2-4-6-17-19(11,12)13/h7H,1-6H2,(H,9,10)(H2,11,12,13)(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90E+3n/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
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

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
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
2-dehydro-3-deoxyphosphooctonate aldolase


(Neisseria meningitidis serogroup B (strain MC58))
BDBM50362548
PNG
(CHEMBL1941140)
Show SMILES OC(CCCCCCOP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C8H17O7P/c9-7(8(10)11)5-3-1-2-4-6-15-16(12,13)14/h7,9H,1-6H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.70E+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
2-dehydro-3-deoxyphosphooctonate aldolase


(Neisseria meningitidis serogroup B (strain MC58))
BDBM50362544
PNG
(CHEMBL1941138)
Show SMILES C[C@@H](OP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.70E+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
2-dehydro-3-deoxyphosphooctonate aldolase


(Neisseria meningitidis serogroup B (strain MC58))
BDBM50362547
PNG
(CHEMBL1941139)
Show SMILES OCCCCCCC(OP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C8H17O7P/c9-6-4-2-1-3-5-7(8(10)11)15-16(12,13)14/h7,9H,1-6H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6n/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
2-dehydro-3-deoxyphosphooctonate aldolase


(Neisseria meningitidis serogroup B (strain MC58))
BDBM50362545
PNG
(CHEMBL1235229)
Show SMILES C[C@H](OP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.20E+6n/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
* indicates data uncertainty>20%