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Found 159 hits Enz. Inhib. hit(s) with Target = 'Bifunctional protein (GlmU)'   
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
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM50365075
PNG
(CHEMBL1951164 | Sulfonamide, 2)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-12(20)18-14-10-17(16(24-4)11-15(14)23-3)25(21,22)19(2)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,18,20)
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n/an/a 3.30E+3 1.90E+3n/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
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PubMed
n/an/a 2.10E+3n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM92472
PNG
(Sulfonamide, 3)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1
Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 18n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM92473
PNG
(Sulfonamide, 4)
Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1C(C)CCc2ccccc12
Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)
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n/an/a 58n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM92474
PNG
(Sulfonamide, 5)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 7n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Bifunctional protein (GlmU)


(Haemophilus influenzae)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
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n/an/a 7.80E+3n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Haemophilus influenzae)
BDBM50365075
PNG
(CHEMBL1951164 | Sulfonamide, 2)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-12(20)18-14-10-17(16(24-4)11-15(14)23-3)25(21,22)19(2)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,18,20)
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n/an/a 6.40E+3n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Haemophilus influenzae)
BDBM92472
PNG
(Sulfonamide, 3)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1
Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 400n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Haemophilus influenzae)
BDBM92473
PNG
(Sulfonamide, 4)
Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1C(C)CCc2ccccc12
Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)
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PubMed
n/an/a 280n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Haemophilus influenzae)
BDBM92474
PNG
(Sulfonamide, 5)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)
PDB
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PubMed
n/an/a 23n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Streptococcus pneumoniae)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Streptococcus pneumoniae)
BDBM50365075
PNG
(CHEMBL1951164 | Sulfonamide, 2)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-12(20)18-14-10-17(16(24-4)11-15(14)23-3)25(21,22)19(2)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,18,20)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Streptococcus pneumoniae)
BDBM92472
PNG
(Sulfonamide, 3)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1
Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 4.00E+4n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Streptococcus pneumoniae)
BDBM92473
PNG
(Sulfonamide, 4)
Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1C(C)CCc2ccccc12
Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)
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n/an/a 4.70E+3n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Streptococcus pneumoniae)
BDBM92474
PNG
(Sulfonamide, 5)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 1.50E+4n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM50365062
PNG
(CHEMBL1951072 | Sulfonamide, 1)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C19H22N2O5S/c1-12-9-14-7-5-6-8-16(14)21(12)27(23,24)19-10-15(20-13(2)22)17(25-3)11-18(19)26-4/h5-8,10-12H,9H2,1-4H3,(H,20,22)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM50365075
PNG
(CHEMBL1951164 | Sulfonamide, 2)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-12(20)18-14-10-17(16(24-4)11-15(14)23-3)25(21,22)19(2)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,18,20)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM92472
PNG
(Sulfonamide, 3)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1
Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM92473
PNG
(Sulfonamide, 4)
Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1C(C)CCc2ccccc12
Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Staphylococcus aureus)
BDBM92474
PNG
(Sulfonamide, 5)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a>2.00E+5n/an/an/an/a7.35n/a



AstraZeneca



Assay Description
Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.


J Biol Chem 286: 40734-42 (2011)


Article DOI: 10.1074/jbc.M111.274068
BindingDB Entry DOI: 10.7270/Q2BP01DD
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075382
PNG
(CHEMBL3415071)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(c1)C#N)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C26H26N4O5S/c1-17-8-9-19-6-4-5-7-22(19)30(17)36(32,33)25-14-21(23(34-2)15-24(25)35-3)29-26(31)13-18-10-11-28-20(12-18)16-27/h4-7,10-12,14-15,17H,8-9,13H2,1-3H3,(H,29,31)/t17-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075383
PNG
(CHEMBL2207226)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(F)c1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C27H22FN3O6S/c1-35-23-16-24(36-2)25(15-18(23)30-27(32)14-17-11-12-29-26(28)13-17)38(33,34)31-19-7-3-5-9-21(19)37-22-10-6-4-8-20(22)31/h3-13,15-16H,14H2,1-2H3,(H,30,32)
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n/an/a 90n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075384
PNG
(CHEMBL3415070)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(F)c1)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C25H26FN3O5S/c1-16-8-9-18-6-4-5-7-20(18)29(16)35(31,32)23-14-19(21(33-2)15-22(23)34-3)28-25(30)13-17-10-11-27-24(26)12-17/h4-7,10-12,14-16H,8-9,13H2,1-3H3,(H,28,30)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075385
PNG
(CHEMBL2207224)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccncc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C27H23N3O6S/c1-34-24-17-25(35-2)26(16-19(24)29-27(31)15-18-11-13-28-14-12-18)37(32,33)30-20-7-3-5-9-22(20)36-23-10-6-4-8-21(23)30/h3-14,16-17H,15H2,1-2H3,(H,29,31)
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n/an/a 60n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075386
PNG
(CHEMBL3415069)
Show SMILES COc1cc(OC)c(cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C24H28N2O7S/c1-13-9-10-15-7-5-6-8-17(15)26(13)34(30,31)20-11-16(18(32-3)12-19(20)33-4)25-23(27)21-14(2)22(21)24(28)29/h5-8,11-14,21-22H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t13-,14+,21+,22+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075387
PNG
(CHEMBL3415068)
Show SMILES COc1cc(OC)c(cc1NC(=O)[C@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C26H24N2O8S/c1-14-23(24(14)26(30)31)25(29)27-15-12-22(21(35-3)13-20(15)34-2)37(32,33)28-16-8-4-6-10-18(16)36-19-11-7-5-9-17(19)28/h4-14,23-24H,1-3H3,(H,27,29)(H,30,31)/t14-,23+,24-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075381
PNG
(CHEMBL3415072)
Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12
Show InChI InChI=1S/C21H24N2O7S/c1-13-7-8-14-5-3-4-6-16(14)23(13)31(28,29)19-11-15(18(30-2)12-17(19)24)22-20(25)9-10-21(26)27/h3-6,11-13,24H,7-10H2,1-2H3,(H,22,25)(H,26,27)/t13-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075382
PNG
(CHEMBL3415071)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(c1)C#N)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C26H26N4O5S/c1-17-8-9-19-6-4-5-7-22(19)30(17)36(32,33)25-14-21(23(34-2)15-24(25)35-3)29-26(31)13-18-10-11-28-20(12-18)16-27/h4-7,10-12,14-15,17H,8-9,13H2,1-3H3,(H,29,31)/t17-/m0/s1
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n/an/a 681n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075383
PNG
(CHEMBL2207226)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(F)c1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C27H22FN3O6S/c1-35-23-16-24(36-2)25(15-18(23)30-27(32)14-17-11-12-29-26(28)13-17)38(33,34)31-19-7-3-5-9-21(19)37-22-10-6-4-8-20(22)31/h3-13,15-16H,14H2,1-2H3,(H,30,32)
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n/an/a 90n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075384
PNG
(CHEMBL3415070)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccnc(F)c1)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C25H26FN3O5S/c1-16-8-9-18-6-4-5-7-20(18)29(16)35(31,32)23-14-19(21(33-2)15-22(23)34-3)28-25(30)13-17-10-11-27-24(26)12-17/h4-7,10-12,14-16H,8-9,13H2,1-3H3,(H,28,30)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075385
PNG
(CHEMBL2207224)
Show SMILES COc1cc(OC)c(cc1NC(=O)Cc1ccncc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C27H23N3O6S/c1-34-24-17-25(35-2)26(16-19(24)29-27(31)15-18-11-13-28-14-12-18)37(32,33)30-20-7-3-5-9-22(20)36-23-10-6-4-8-21(23)30/h3-14,16-17H,15H2,1-2H3,(H,29,31)
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n/an/a 60n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075386
PNG
(CHEMBL3415069)
Show SMILES COc1cc(OC)c(cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C24H28N2O7S/c1-13-9-10-15-7-5-6-8-17(15)26(13)34(30,31)20-11-16(18(32-3)12-19(20)33-4)25-23(27)21-14(2)22(21)24(28)29/h5-8,11-14,21-22H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t13-,14+,21+,22+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075387
PNG
(CHEMBL3415068)
Show SMILES COc1cc(OC)c(cc1NC(=O)[C@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C26H24N2O8S/c1-14-23(24(14)26(30)31)25(29)27-15-12-22(21(35-3)13-20(15)34-2)37(32,33)28-16-8-4-6-10-18(16)36-19-11-7-5-9-17(19)28/h4-14,23-24H,1-3H3,(H,27,29)(H,30,31)/t14-,23+,24-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075296
PNG
(CHEMBL3415067)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCc1nn[nH]n1)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1S/C22H26N6O5S/c1-14-8-9-15-6-4-5-7-17(15)28(14)34(30,31)20-12-16(18(32-2)13-19(20)33-3)23-22(29)11-10-21-24-26-27-25-21/h4-7,12-14H,8-11H2,1-3H3,(H,23,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075297
PNG
(CHEMBL2207606)
Show SMILES COc1cc(OC)c(cc1NC(=O)\C=C\C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H20N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-14H,1-2H3,(H,25,27)(H,28,29)/b12-11+
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n/an/a 10n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075298
PNG
(CHEMBL2207605)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C25H24N2O8S/c1-33-21-14-22(34-2)23(13-17(21)26-24(28)11-12-25(29)30)36(31,32)27-15-16-7-3-5-9-19(16)35-20-10-6-4-8-18(20)27/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075299
PNG
(CHEMBL2207604)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C24H22N2O7S2/c1-32-18-14-19(33-2)22(13-15(18)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-20(16)34-21-10-6-4-8-17(21)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 90n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM92474
PNG
(Sulfonamide, 5)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C24H22N2O8S/c1-32-20-14-21(33-2)22(13-15(20)25-23(27)11-12-24(28)29)35(30,31)26-16-7-3-5-9-18(16)34-19-10-6-4-8-17(19)26/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075300
PNG
(CHEMBL2207602)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H26N2O7S/c1-36-24-18-25(37-2)26(17-23(24)29-27(31)14-15-28(32)33)38(34,35)30(21-10-4-3-5-11-21)22-13-12-19-8-6-7-9-20(19)16-22/h3-13,16-18H,14-15H2,1-2H3,(H,29,31)(H,32,33)
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n/an/a 40n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM92472
PNG
(Sulfonamide, 3)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccc(N)cc1
Show InChI InChI=1S/C24H25N3O7S/c1-33-20-15-21(34-2)22(14-19(20)26-23(28)12-13-24(29)30)35(31,32)27(17-6-4-3-5-7-17)18-10-8-16(25)9-11-18/h3-11,14-15H,12-13,25H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075301
PNG
(CHEMBL2207600)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O7S/c1-17-5-9-19(10-6-17)28(20-11-7-18(2)8-12-20)36(32,33)24-15-21(22(34-3)16-23(24)35-4)27-25(29)13-14-26(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,27,29)(H,30,31)
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n/an/a 40n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075325
PNG
(CHEMBL2207599)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H24N2O7S/c1-32-20-16-21(33-2)22(15-19(20)25-23(27)13-14-24(28)29)34(30,31)26(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 40n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365098
PNG
(CHEMBL1951187)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H33N3O9S/c1-37-21-15-22(38-2)23(14-19(21)28-24(30)7-8-25(31)32)39(35,36)27-16-18-5-3-4-6-20(18)29-11-9-17(10-12-29)13-26(33)34/h3-6,14-15,17,27H,7-13,16H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)
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n/an/a 400n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365097
PNG
(CHEMBL1951186)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C25H31N3O9S/c1-36-20-14-21(37-2)22(13-18(20)27-23(29)7-8-24(30)31)38(34,35)26-15-17-5-3-4-6-19(17)28-11-9-16(10-12-28)25(32)33/h3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,27,29)(H,30,31)(H,32,33)
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n/an/a 500n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365096
PNG
(CHEMBL1951185)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H26N2O9S/c1-36-21-14-22(37-2)23(13-20(21)28-24(29)11-12-25(30)31)38(34,35)27-15-18-5-3-4-6-19(18)16-7-9-17(10-8-16)26(32)33/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)
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n/an/a 899n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365095
PNG
(CHEMBL1951184)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(COC(=O)CCC(O)=O)CC1
Show InChI InChI=1S/C29H37N3O11S/c1-41-23-16-24(42-2)25(15-21(23)31-26(33)7-8-27(34)35)44(39,40)30-17-20-5-3-4-6-22(20)32-13-11-19(12-14-32)18-43-29(38)10-9-28(36)37/h3-6,15-16,19,30H,7-14,17-18H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)
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n/an/a 250n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365094
PNG
(CHEMBL1951183)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CO)CC1
Show InChI InChI=1S/C25H33N3O8S/c1-35-21-14-22(36-2)23(13-19(21)27-24(30)7-8-25(31)32)37(33,34)26-15-18-5-3-4-6-20(18)28-11-9-17(16-29)10-12-28/h3-6,13-14,17,26,29H,7-12,15-16H2,1-2H3,(H,27,30)(H,31,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365093
PNG
(CHEMBL1951182)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCCCC1
Show InChI InChI=1S/C24H31N3O7S/c1-33-20-15-21(34-2)22(14-18(20)26-23(28)10-11-24(29)30)35(31,32)25-16-17-8-4-5-9-19(17)27-12-6-3-7-13-27/h4-5,8-9,14-15,25H,3,6-7,10-13,16H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365092
PNG
(CHEMBL1951181)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)NCc1ccccc1N1CCC(CO)CC1
Show InChI InChI=1S/C23H31N3O6S/c1-16(28)25-19-12-23(22(32-3)13-21(19)31-2)33(29,30)24-14-18-6-4-5-7-20(18)26-10-8-17(15-27)9-11-26/h4-7,12-13,17,24,27H,8-11,14-15H2,1-3H3,(H,25,28)
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n/an/a 4.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50365091
PNG
(CHEMBL1951180)
Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)NCc1ccccc1N1CCCCC1
Show InChI InChI=1S/C22H29N3O5S/c1-16(26)24-18-13-22(21(30-3)14-20(18)29-2)31(27,28)23-15-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26)
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n/an/a 2.00E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate


Eur J Med Chem 92: 78-90 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.030
BindingDB Entry DOI: 10.7270/Q2RJ4M55
More data for this
Ligand-Target Pair
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