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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'D-alanyl-D-alanine dipeptidase' AND taxid = 1352   
Target
(Institution)
LigandTarget
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)
BDBM50014155
PNG
(CHEMBL3260854)
Show SMILES C[C@@H](N)P(O)(=O)C[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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AffyNet 
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by color...


Bioorg Med Chem Lett 24: 2535-8 (2014)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50014161
PNG
(CHEMBL3260858)
Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1
Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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AffyNet 
Article
PubMed
2.74E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by color...


Bioorg Med Chem Lett 24: 2535-8 (2014)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50014157
PNG
(CHEMBL3260855)
Show SMILES C[C@@H](N)P(O)(=O)C[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C11H16NO4P/c1-8(12)17(15,16)7-10(11(13)14)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)(H,15,16)/t8-,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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AffyNet 
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by color...


Bioorg Med Chem Lett 24: 2535-8 (2014)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50014158
PNG
(CHEMBL3260856)
Show SMILES CC(C)[C@H](CP(O)(=O)[C@@H](C)N)C(O)=O
Show InChI InChI=1S/C8H18NO4P/c1-5(2)7(8(10)11)4-14(12,13)6(3)9/h5-7H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-,7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
6.10E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by color...


Bioorg Med Chem Lett 24: 2535-8 (2014)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50014160
PNG
(CHEMBL3260857)
Show SMILES C[C@@H](NC(=O)c1cccc(=S)n1O)C(O)=O
Show InChI InChI=1S/C9H10N2O4S/c1-5(9(13)14)10-8(12)6-3-2-4-7(16)11(6)15/h2-5,15H,1H3,(H,10,12)(H,13,14)/t5-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
6.84E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by color...


Bioorg Med Chem Lett 24: 2535-8 (2014)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50335519
PNG
((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
PDB
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Article
PubMed
6.20E+4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrate


Antimicrob Agents Chemother 54: 2814-8 (2010)

More data for this
Ligand-Target Pair
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50361935
PNG
(CHEMBL1939351)
Show SMILES C[C@H](N)P(O)(=O)OCC(O)=O
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

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B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
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)

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
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

AffyNet 
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)

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
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

AffyNet 
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)

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
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

AffyNet 
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)

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
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

AffyNet 
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)

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
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

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
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)

More data for this
Ligand-Target Pair