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PubMed code 12213077

Compile data set for download or QSAR
Found 18 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
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50074938
PNG
((R)-2-(4-Methoxy-phenyl)-4,5-dihydro-oxazole-4-car...)
Show SMILES COc1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |t:9|
Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(6-17-11)10(14)13-15/h2-5,9,15H,6H2,1H3,(H,13,14)/t9-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118596
PNG
((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...)
Show SMILES COc1ccc(cc1)-c1cc(on1)P(O)(O)O
Show InChI InChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-6,12-14,17H,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50409600
PNG
(CHEMBL2111931)
Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)C(=O)NO |r,t:9|
Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)9-6-10(17-13-9)11(14)12-15/h2-5,10,15H,6H2,1H3,(H,12,14)/t10-/m1/s1
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n/an/a 4.37E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118597
PNG
((R/S)-Thioacetic acid S-{2-[3-(4-methoxy-phenyl)-4...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)CSC(C)=O |t:9|
Show InChI InChI=1S/C14H15NO4S/c1-9(16)20-8-13(17)14-7-12(15-19-14)10-3-5-11(18-2)6-4-10/h3-6,14H,7-8H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118582
PNG
((R)3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5-ca...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NO |t:9|
Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)9-6-10(17-13-9)11(14)12-15/h2-5,10,15H,6H2,1H3,(H,12,14)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118590
PNG
((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...)
Show SMILES COc1ccc(cc1)C1=NOC(CS)C1 |t:9|
Show InChI InChI=1S/C11H13NO2S/c1-13-9-4-2-8(3-5-9)11-6-10(7-15)14-12-11/h2-5,10,15H,6-7H2,1H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118594
PNG
((R/S)-2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dihyd...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)CS |t:9|
Show InChI InChI=1S/C12H13NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,12,17H,6-7H2,1H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118584
PNG
((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...)
Show SMILES COc1ccc(cc1)-c1cc(on1)P(C)(O)O
Show InChI InChI=1S/C11H14NO4P/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-7,13-14,17H,1-2H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118581
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccccn1 |t:9|
Show InChI InChI=1S/C16H15N3O3/c1-21-12-7-5-11(6-8-12)13-10-14(22-19-13)16(20)18-15-4-2-3-9-17-15/h2-9,14H,10H2,1H3,(H,17,18,20)
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n/an/a>3.36E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118587
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1nccs1 |t:9|
Show InChI InChI=1S/C14H13N3O3S/c1-19-10-4-2-9(3-5-10)11-8-12(20-17-11)13(18)16-14-15-6-7-21-14/h2-7,12H,8H2,1H3,(H,15,16,18)
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n/an/a>3.92E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118595
PNG
((R/S)-5-Methanesulfonyl-3-(4-methoxy-phenyl)-4,5-d...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C11H13NO4S/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-6,11H,7H2,1-2H3
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n/an/a>3.92E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118593
PNG
((R*,R*)2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dihy...)
Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)[C@H](O)CS |t:9|
Show InChI InChI=1S/C12H15NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,11-12,14,17H,6-7H2,1H3/t11-,12-/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118586
PNG
((R*,S*)-2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dih...)
Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)[C@@H](O)CS |t:9|
Show InChI InChI=1S/C12H15NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,11-12,14,17H,6-7H2,1H3/t11-,12+/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118585
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NNC=O |t:9|
Show InChI InChI=1S/C12H13N3O4/c1-18-9-4-2-8(3-5-9)10-6-11(19-15-10)12(17)14-13-7-16/h2-5,7,11H,6H2,1H3,(H,13,16)(H,14,17)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118583
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NCO |t:9|
Show InChI InChI=1S/C12H14N2O4/c1-17-9-4-2-8(3-5-9)10-6-11(18-14-10)12(16)13-7-15/h2-5,11,15H,6-7H2,1H3,(H,13,16)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118592
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NN |t:9|
Show InChI InChI=1S/C11H13N3O3/c1-16-8-4-2-7(3-5-8)9-6-10(17-14-9)11(15)13-12/h2-5,10H,6,12H2,1H3,(H,13,15)
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n/an/a>4.25E+5n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118591
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(O)=O |t:9|
Show InChI InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM50118580
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C10H12N2O4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-5,10H,6H2,1H3,(H2,11,13,14)
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n/an/a>1.20E+6n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.


J Med Chem 45: 4359-70 (2002)


BindingDB Entry DOI: 10.7270/Q2W66K3D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%