Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50045689   

Target/Host (Institution)	Ligand	Target/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	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	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)	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)	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	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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
Bifunctional protein GlmU (Escherichia coli)	BDBM50365097 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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)	BDBM50075371 (CHEMBL3414902) Show SMILES COc1cc(OC)c(cc1NC(=O)\C=C\C(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H24N2O7S/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/h4-7,10-14H,8-9H2,1-3H3,(H,23,25)(H,26,27)/b11-10+/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	500	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)	BDBM50075375 (CHEMBL3414899) Show SMILES COc1cc(OC)c(cc1NC(=O)NCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C21H25N3O7S/c1-13-8-9-14-6-4-5-7-16(14)24(13)32(28,29)19-10-15(17(30-2)11-18(19)31-3)23-21(27)22-12-20(25)26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26)(H2,22,23,27)/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	500	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)	BDBM50075376 (CHEMBL3414898) Show SMILES COc1cc(OC)c(cc1NC(=S)NCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C21H25N3O6S2/c1-13-8-9-14-6-4-5-7-16(14)24(13)32(27,28)19-10-15(17(29-2)11-18(19)30-3)23-21(31)22-12-20(25)26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26)(H2,22,23,31)/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	500	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)	BDBM50365097 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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)	BDBM50075371 (CHEMBL3414902) Show SMILES COc1cc(OC)c(cc1NC(=O)\C=C\C(O)=O)S(=O)(=O)N1[C@@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C22H24N2O7S/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/h4-7,10-14H,8-9H2,1-3H3,(H,23,25)(H,26,27)/b11-10+/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	500	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)	BDBM50075375 (CHEMBL3414899) Show SMILES COc1cc(OC)c(cc1NC(=O)NCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C21H25N3O7S/c1-13-8-9-14-6-4-5-7-16(14)24(13)32(28,29)19-10-15(17(30-2)11-18(19)31-3)23-21(27)22-12-20(25)26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26)(H2,22,23,27)/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	500	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)	BDBM50075376 (CHEMBL3414898) Show SMILES COc1cc(OC)c(cc1NC(=S)NCC(O)=O)S(=O)(=O)N1[C@H](C)CCc2ccccc12 |r| Show InChI InChI=1S/C21H25N3O6S2/c1-13-8-9-14-6-4-5-7-16(14)24(13)32(27,28)19-10-15(17(29-2)11-18(19)30-3)23-21(31)22-12-20(25)26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26)(H2,22,23,31)/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	500	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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