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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50005902   
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
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50200120
PNG
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1
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8n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495314
PNG
(CHEMBL3103559)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1
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66n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495317
PNG
(CHEMBL3103561)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m1/s1
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95n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495323
PNG
(CHEMBL3103548)
Show SMILES OC[C@H](O[C@H](CO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H28N2O6/c27-16-22(32-23(17-28)24(29)25-30)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-26-11-13-31-14-12-26/h3-10,22-23,27-28,30H,11-17H2,(H,25,29)/t22-,23+/m1/s1
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358n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495312
PNG
(CHEMBL3103550)
Show SMILES ONC(=O)COCc1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C22H24N2O4/c25-22(23-26)17-28-16-21-9-5-19(6-10-21)2-1-18-3-7-20(8-4-18)15-24-11-13-27-14-12-24/h3-10,26H,11-17H2,(H,23,25)
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1.45E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495316
PNG
(CHEMBL3103560)
Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495311
PNG
(CHEMBL3103562)
Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m0/s1
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2.73E+4n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50200120
PNG
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495314
PNG
(CHEMBL3103559)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1
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n/an/a 480n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495317
PNG
(CHEMBL3103561)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495323
PNG
(CHEMBL3103548)
Show SMILES OC[C@H](O[C@H](CO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H28N2O6/c27-16-22(32-23(17-28)24(29)25-30)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-26-11-13-31-14-12-26/h3-10,22-23,27-28,30H,11-17H2,(H,25,29)/t22-,23+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495312
PNG
(CHEMBL3103550)
Show SMILES ONC(=O)COCc1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C22H24N2O4/c25-22(23-26)17-28-16-21-9-5-19(6-10-21)2-1-18-3-7-20(8-4-18)15-24-11-13-27-14-12-24/h3-10,26H,11-17H2,(H,23,25)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495316
PNG
(CHEMBL3103560)
Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m0/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495311
PNG
(CHEMBL3103562)
Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m0/s1
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n/an/a 1.98E+5n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495325
PNG
(CHEMBL3103552)
Show SMILES OC[C@H](OCC(=O)NO)c1ccccc1 |r|
Show InChI InChI=1S/C10H13NO4/c12-6-9(15-7-10(13)11-14)8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,11,13)/t9-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495324
PNG
(CHEMBL3103555)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#C |r|
Show InChI InChI=1S/C12H13NO4/c1-2-9-3-5-10(6-4-9)11(7-14)17-8-12(15)13-16/h1,3-6,11,14,16H,7-8H2,(H,13,15)/t11-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495322
PNG
(CHEMBL3103549)
Show SMILES ONC(=O)COCc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C17H15NO3/c19-17(18-20)13-21-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,20H,12-13H2,(H,18,19)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495321
PNG
(CHEMBL3103551)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccccc1 |r|
Show InChI InChI=1S/C10H13NO4/c12-6-9(15-7-10(13)11-14)8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,11,13)/t9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495320
PNG
(CHEMBL3103553)
Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C10H12BrNO4/c11-8-3-1-7(2-4-8)9(5-13)16-6-10(14)12-15/h1-4,9,13,15H,5-6H2,(H,12,14)/t9-/m1/s1
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Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495319
PNG
(CHEMBL3103554)
Show SMILES OC[C@H](OCC(=O)NO)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C10H12BrNO4/c11-8-3-1-7(2-4-8)9(5-13)16-6-10(14)12-15/h1-4,9,13,15H,5-6H2,(H,12,14)/t9-/m0/s1
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Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495326
PNG
(CHEMBL3103556)
Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#C |r|
Show InChI InChI=1S/C12H13NO4/c1-2-9-3-5-10(6-4-9)11(7-14)17-8-12(15)13-16/h1,3-6,11,14,16H,7-8H2,(H,13,15)/t11-/m0/s1
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Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495315
PNG
(CHEMBL3103547)
Show SMILES ONC(=O)[C@H]1O[C@H]([C@@H](O)[C@H]1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C24H26N2O6/c27-20-21(28)23(24(29)25-30)32-22(20)19-9-7-17(8-10-19)2-1-16-3-5-18(6-4-16)15-26-11-13-31-14-12-26/h3-10,20-23,27-28,30H,11-15H2,(H,25,29)/t20-,21+,22-,23-/m0/s1
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Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495313
PNG
(CHEMBL3103558)
Show SMILES [#6][Si;v4]([#6])([#6])C#Cc1ccc(cc1)-[#6@H](-[#6]-[#8])-[#8]-[#6]-[#6](=O)-[#7]-[#8] |r|
Show InChI InChI=1S/C15H21NO4Si/c1-21(2,3)9-8-12-4-6-13(7-5-12)14(10-17)20-11-15(18)16-19/h4-7,14,17,19H,10-11H2,1-3H3,(H,16,18)/t14-/m0/s1
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Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50495318
PNG
(CHEMBL3103557)
Show SMILES [#6][Si;v4]([#6])([#6])C#Cc1ccc(cc1)-[#6@@H](-[#6]-[#8])-[#8]-[#6]-[#6](=O)-[#7]-[#8] |r|
Show InChI InChI=1S/C15H21NO4Si/c1-21(2,3)9-8-12-4-6-13(7-5-12)14(10-17)20-11-15(18)16-19/h4-7,14,17,19H,10-11H2,1-3H3,(H,16,18)/t14-/m1/s1
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Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...


Bioorg Med Chem 22: 1016-28 (2014)


Article DOI: 10.1016/j.bmc.2013.12.057
BindingDB Entry DOI: 10.7270/Q2X92F7C
More data for this
Ligand-Target Pair