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Compile Data Set for Download or QSAR

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


Citation and Details
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 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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Citation and Details
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 18n/an/an/an/a7.35n/a



AstraZeneca



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


Citation and Details
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 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


Citation and Details
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 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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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n/an/a 23n/an/an/an/a7.35n/a



AstraZeneca



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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102673
PNG
(CHEMBL3341771)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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n/an/a 27n/an/an/an/an/an/a



Discovery Sciences, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham, MA 02451, United States. Electronic address: Peter.Doig@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Citation and Details
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


Citation and Details
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=1/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-/s2
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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


Citation and Details
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=1/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-/s2
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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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


Citation and Details
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=1/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-/s2
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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


Citation and Details
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=1/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-/s2
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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


Citation and Details
More data for this
Ligand-Target Pair
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.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075379
PNG
(CHEMBL3415115)
Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1/C25H22N2O8S/c1-13-22(23(13)25(30)31)24(29)26-14-11-21(17(28)12-20(14)34-2)36(32,33)27-15-7-3-5-9-18(15)35-19-10-6-4-8-16(19)27/h3-13,22-23,28H,1-2H3,(H,26,29)(H,30,31)/t13-,22-,23-/s2
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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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075379
PNG
(CHEMBL3415115)
Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1/C25H22N2O8S/c1-13-22(23(13)25(30)31)24(29)26-14-11-21(17(28)12-20(14)34-2)36(32,33)27-15-7-3-5-9-18(15)35-19-10-6-4-8-16(19)27/h3-13,22-23,28H,1-2H3,(H,26,29)(H,30,31)/t13-,22-,23-/s2
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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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075370
PNG
(CHEMBL3414903)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1/C22H26N2O7S/c1-14-8-9-15-6-4-5-7-17(15)24(14)32(28,29)20-12-16(18(30-2)13-19(20)31-3)23-21(25)10-11-22(26)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)(H,26,27)/t14-/s2
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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075370
PNG
(CHEMBL3414903)
Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1/C22H26N2O7S/c1-14-8-9-15-6-4-5-7-17(15)24(14)32(28,29)20-12-16(18(30-2)13-19(20)31-3)23-21(25)10-11-22(26)27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)(H,26,27)/t14-/s2
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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075369
PNG
(CHEMBL3414904)
Show SMILES COc1cc(OC)c(cc1NC(=O)CSCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12
Show InChI InChI=1/C22H26N2O7S2/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/s2
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n/an/a 100n/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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075369
PNG
(CHEMBL3414904)
Show SMILES COc1cc(OC)c(cc1NC(=O)CSCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12
Show InChI InChI=1/C22H26N2O7S2/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/s2
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n/an/a 100n/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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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n/an/a 120n/an/an/an/an/an/a



Discovery Sciences, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham, MA 02451, United States. Electronic address: Peter.Doig@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075372
PNG
(CHEMBL3414901)
Show SMILES COc1cc(OC)c(cc1NC(=O)COCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1/C22H26N2O8S/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/s2
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n/an/a 200n/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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50075372
PNG
(CHEMBL3414901)
Show SMILES COc1cc(OC)c(cc1NC(=O)COCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12
Show InChI InChI=1/C22H26N2O8S/c1-14-8-9-15-6-4-5-7-17(15)24(14)33(28,29)20-10-16(18(30-2)11-19(20)31-3)23-21(25)12-32-13-22(26)27/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,25)(H,26,27)/t14-/s2
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n/an/a 200n/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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102714
PNG
(CHEMBL3343050)
Show SMILES COc1cc(cc(c1O)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O6/c1-35-20-12-15(11-18(21(20)30)19-13-26-25(34)29-24(19)33)23(32)28-17-9-7-16(8-10-17)27-22(31)14-5-3-2-4-6-14/h2-13,30H,1H3,(H,27,31)(H,28,32)(H2,26,29,33,34)
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n/an/a 260n/an/an/an/an/an/a



Discovery Sciences, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham, MA 02451, United States. Electronic address: Peter.Doig@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Citation and Details
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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n/an/a 280n/an/an/an/a7.35n/a



AstraZeneca



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


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102674
PNG
(CHEMBL3343051)
Show SMILES O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)
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n/an/a 350n/an/an/an/an/an/a



Discovery Sciences, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham, MA 02451, United States. Electronic address: Peter.Doig@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102681
PNG
(CHEMBL3343041)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(Cl)nc2cc1O
Show InChI InChI=1S/C22H17ClN4O3/c1-30-19-11-16-17(12-18(19)28)26-22(23)27-20(16)24-14-7-9-15(10-8-14)25-21(29)13-5-3-2-4-6-13/h2-12,28H,1H3,(H,25,29)(H,24,26,27)
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n/an/a 370n/an/an/an/an/an/a



Discovery Sciences, AstraZeneca R&D Boston, 35 Gatehouse Drive, Waltham, MA 02451, United States. Electronic address: Peter.Doig@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Citation and Details
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=1/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+/s2
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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


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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=1/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+/s2
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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


Citation and Details
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=1/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-/s2
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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


Citation and Details
More data for this
Ligand-Target Pair
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