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PubMed code 22113110

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
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361935
PNG
(CHEMBL1939351)
Show SMILES C[C@H](N)P(O)(=O)OCC(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c1-3(5)11(8,9)10-2-4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.80E+5n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins mea...


Bioorg Med Chem Lett 22: 482-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.094
BindingDB Entry DOI: 10.7270/Q25D8S8F
More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361940
PNG
(CHEMBL1939352)
Show SMILES C[C@H](N)P(O)(=O)O[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C5H12NO5P/c1-3(5(7)8)11-12(9,10)4(2)6/h3-4H,6H2,1-2H3,(H,7,8)(H,9,10)/t3-,4-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.60E+5n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Competitive inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated fo...


Bioorg Med Chem Lett 22: 482-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.094
BindingDB Entry DOI: 10.7270/Q25D8S8F
More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361937
PNG
(CHEMBL1939354)
Show SMILES CC(C)C[C@@H](OP(O)(=O)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C8H18NO5P/c1-5(2)4-7(8(10)11)14-15(12,13)6(3)9/h5-7H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.08E+6n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins mea...


Bioorg Med Chem Lett 22: 482-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.094
BindingDB Entry DOI: 10.7270/Q25D8S8F
More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361938
PNG
(CHEMBL1939355)
Show SMILES CC[C@H](C)[C@@H](OP(O)(=O)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C8H18NO5P/c1-4-5(2)7(8(10)11)14-15(12,13)6(3)9/h5-7H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6+,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.31E+6n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins mea...


Bioorg Med Chem Lett 22: 482-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.094
BindingDB Entry DOI: 10.7270/Q25D8S8F
More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361936
PNG
(CHEMBL1939353)
Show SMILES CC(C)[C@@H](OP(O)(=O)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C7H16NO5P/c1-4(2)6(7(9)10)13-14(11,12)5(3)8/h4-6H,8H2,1-3H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.82E+6n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins mea...


Bioorg Med Chem Lett 22: 482-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.094
BindingDB Entry DOI: 10.7270/Q25D8S8F
More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361939
PNG
(CHEMBL1939356)
Show SMILES C[C@H](N)P(O)(=O)O[C@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C11H16NO5P/c1-8(12)18(15,16)17-10(11(13)14)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)(H,15,16)/t8-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.21E+6n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins mea...


Bioorg Med Chem Lett 22: 482-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.094
BindingDB Entry DOI: 10.7270/Q25D8S8F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%