Compile Data Set for Download or QSAR

Found 143 hits of ic50 for UniProtKB: P0ACC7   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional protein GlmU (Escherichia coli)	BDBM92474 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.35	n/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 Structure (docked)
Bifunctional protein GlmU (Escherichia coli)	BDBM92474 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Bifunctional protein GlmU (Escherichia coli)	BDBM50075297 (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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Bifunctional protein GlmU (Escherichia coli)	BDBM50075297 (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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.35	n/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 Structure (crystal)
Bifunctional protein GlmU (Escherichia coli)	BDBM92472 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Bifunctional protein GlmU (Escherichia coli)	BDBM92472 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Bifunctional protein GlmU (Escherichia coli)	BDBM50102673 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca 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...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075298 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3415068) Show SMILES COc1cc(OC)c(cc1NC(=O)[C@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3415068) Show SMILES COc1cc(OC)c(cc1NC(=O)[C@H]1[C@@H](C)[C@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075301 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075300 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075300 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075301 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3415072) Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3415072) Show SMILES COc1cc(O)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM92473 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.35	n/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 Structure (docked)
Bifunctional protein GlmU (Escherichia coli)	BDBM50075385 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075379 (CHEMBL3415115) Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075379 (CHEMBL3415115) Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@@H]1C(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075370 (CHEMBL3414903) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075370 (CHEMBL3414903) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075369 (CHEMBL3414904) Show SMILES COc1cc(OC)c(cc1NC(=O)CSCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/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-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075369 (CHEMBL3414904) Show SMILES COc1cc(OC)c(cc1NC(=O)CSCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/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-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50102677 (CHEMBL3343057) Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca 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...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50075372 (CHEMBL3414901) Show SMILES COc1cc(OC)c(cc1NC(=O)COCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075372 (CHEMBL3414901) Show SMILES COc1cc(OC)c(cc1NC(=O)COCC(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50102714 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca 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...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102674 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca 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...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102681 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca 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...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50365098 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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 (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 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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 (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 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3415067) Show SMILES COc1cc(OC)c(cc1NC(=O)CCc1nn[nH]n1)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL3415067) Show SMILES COc1cc(OC)c(cc1NC(=O)CCc1nn[nH]n1)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075380 (CHEMBL3415116) Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@H]1C(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C23H26N2O7S/c1-12-8-9-14-6-4-5-7-16(14)25(12)33(30,31)19-10-15(18(32-3)11-17(19)26)24-22(27)20-13(2)21(20)23(28)29/h4-7,10-13,20-21,26H,8-9H2,1-3H3,(H,24,27)(H,28,29)/t12-,13+,20+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50075380 (CHEMBL3415116) Show SMILES COc1cc(O)c(cc1NC(=O)[C@H]1[C@H](C)[C@H]1C(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C23H26N2O7S/c1-12-8-9-14-6-4-5-7-16(14)25(12)33(30,31)19-10-15(18(32-3)11-17(19)26)24-22(27)20-13(2)21(20)23(28)29/h4-7,10-13,20-21,26H,8-9H2,1-3H3,(H,24,27)(H,28,29)/t12-,13+,20+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/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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