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Found 19 hits Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase' AND taxid = 176279   
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
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50367769
PNG
(CHEMBL51843)
Show SMILES CSC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C6H14NO4PS/c1-4(7)12(10,11)3-5(13-2)6(8)9/h5,7,10-12H,3H2,1-2H3,(H,8,9)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022578
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-nona...)
Show SMILES CCCCCCCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C12H26NO4P/c1-3-4-5-6-7-8-11(12(14)15)9-18(16,17)10(2)13/h11,13,16-18H,3-9H2,1-2H3,(H,14,15)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022578
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-nona...)
Show SMILES CCCCCCCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C12H26NO4P/c1-3-4-5-6-7-8-11(12(14)15)9-18(16,17)10(2)13/h11,13,16-18H,3-9H2,1-2H3,(H,14,15)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022569
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-pent...)
Show SMILES CCCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C8H18NO4P/c1-3-4-7(8(10)11)5-14(12,13)6(2)9/h7,9,12-14H,3-5H2,1-2H3,(H,10,11)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022575
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-hexa...)
Show SMILES CCCCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C9H20NO4P/c1-3-4-5-8(9(11)12)6-15(13,14)7(2)10/h8,10,13-15H,3-6H2,1-2H3,(H,11,12)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022574
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-4-me...)
Show SMILES CC(C)CC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C9H20NO4P/c1-6(2)4-8(9(11)12)5-15(13,14)7(3)10/h6,8,10,13-15H,4-5H2,1-3H3,(H,11,12)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022572
PNG
(3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-methyl-p...)
Show SMILES CC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4,7,10-12H,3H2,1-2H3,(H,8,9)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022580
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-4-ph...)
Show SMILES CC(=N)P(O)(O)CC(CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H20NO4P/c1-10(14)19(17,18)9-12(13(15)16)8-7-11-5-3-2-4-6-11/h2-6,12,14,17-19H,7-9H2,1H3,(H,15,16)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022577
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-buty...)
Show SMILES CCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C7H16NO4P/c1-3-6(7(9)10)4-13(11,12)5(2)8/h6,8,11-13H,3-4H2,1-2H3,(H,9,10)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM21459
PNG
(3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-benzylprop...)
Show SMILES CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H18NO4P/c1-9(13)18(16,17)8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11,13,16-18H,7-8H2,1H3,(H,14,15)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022579
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-5-ph...)
Show SMILES CC(=N)P(O)(O)CC(CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H22NO4P/c1-11(15)20(18,19)10-13(14(16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,15,18-20H,5,8-10H2,1H3,(H,16,17)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022573
PNG
(2-[(1-Amino-propyl)-hydroxy-phosphinoylmethyl]-hex...)
Show SMILES CCCCC(CP(O)(O)C(=N)CC)C(O)=O
Show InChI InChI=1S/C10H22NO4P/c1-3-5-6-8(10(12)13)7-16(14,15)9(11)4-2/h8,11,14-16H,3-7H2,1-2H3,(H,12,13)
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n/an/a 1.55E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022572
PNG
(3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-methyl-p...)
Show SMILES CC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4,7,10-12H,3H2,1-2H3,(H,8,9)
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n/an/a 1.65E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022578
PNG
(2-[(1-Amino-ethyl)-hydroxy-phosphinoylmethyl]-nona...)
Show SMILES CCCCCCCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C12H26NO4P/c1-3-4-5-6-7-8-11(12(14)15)9-18(16,17)10(2)13/h11,13,16-18H,3-9H2,1-2H3,(H,14,15)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50038178
PNG
((+)-4-Amino-3-isoxazolidinone | (4R)-4-aminoisoxaz...)
Show SMILES N[C@@H]1CON=C1O
Show InChI InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022576
PNG
(3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-propionic ...)
Show SMILES CC(=N)P(O)(O)CCC(O)=O
Show InChI InChI=1S/C5H12NO4P/c1-4(6)11(9,10)3-2-5(7)8/h6,9-11H,2-3H2,1H3,(H,7,8)
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n/an/a 5.35E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50017377
PNG
((1-Amino-ethyl)-phosphonic acid | 1-Ammonium-ethan...)
Show SMILES CC(N)P(O)(O)=O
Show InChI InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)
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n/an/a 9.30E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022571
PNG
(CHEMBL299420 | D-Ala-D-Ala | D-alanyl-D-alanine)
Show SMILES C[C@@H](N)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50022570
PNG
(1-aminoethylphosphonous acid | CHEMBL300051)
Show SMILES CC(N)P(O)O
Show InChI InChI=1S/C2H8NO2P/c1-2(3)6(4)5/h2,4-5H,3H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)

More data for this
Ligand-Target Pair