Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 2967   

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
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26454 ((2R)-2-({6-[(4-cyano-2-methoxyphenyl)methoxy]napht...) Show SMILES COc1cc(ccc1COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)C#N |r| Show InChI InChI=1S/C24H22N2O8S/c1-33-22-10-15(13-25)2-3-18(22)14-34-19-6-4-17-12-20(7-5-16(17)11-19)35(31,32)26-21(24(29)30)8-9-23(27)28/h2-7,10-12,21,26H,8-9,14H2,1H3,(H,27,28)(H,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26453 ((2R)-2-({6-[(4-cyanophenyl)methoxy]naphthalene-2-}...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26456 ((2R)-2-({7-[(4-cyanophenyl)methoxy]naphthalene-2-}...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2ccc(OCc3ccc(cc3)C#N)cc2c1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-17-6-8-20(12-18(17)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26452 ((2R)-2-{[6-(3-phenylpropoxy)naphthalene-2-]sulfona...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCCCc3ccccc3)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C24H25NO7S/c26-23(27)13-12-22(24(28)29)25-33(30,31)21-11-9-18-15-20(10-8-19(18)16-21)32-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16,22,25H,4,7,12-14H2,(H,26,27)(H,28,29)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26445 ((2R)-2-{[6-(pentyloxy)naphthalene-2-]sulfonamido}p...) Show SMILES CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H25NO7S/c1-2-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21-18(20(24)25)9-10-19(22)23/h5-8,12-13,18,21H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26446 ((2R)-2-{[6-(hexyloxy)naphthalene-2-]sulfonamido}pe...) Show SMILES CCCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H27NO7S/c1-2-3-4-5-12-29-17-8-6-16-14-18(9-7-15(16)13-17)30(27,28)22-19(21(25)26)10-11-20(23)24/h6-9,13-14,19,22H,2-5,10-12H2,1H3,(H,23,24)(H,25,26)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26464 ((2R)-2-[(7-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES CCCCOc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-13-5-7-16(12-14(13)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26447 ((2R)-2-{[6-(2-ethoxy-2-oxoethoxy)naphthalene-2-]su...) Show SMILES CCOC(=O)COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H21NO9S/c1-2-28-18(23)11-29-14-5-3-13-10-15(6-4-12(13)9-14)30(26,27)20-16(19(24)25)7-8-17(21)22/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,21,22)(H,24,25)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26451 ((2R)-2-{[6-(benzyloxy)naphthalene-2-]sulfonamido}p...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C22H21NO7S/c24-21(25)11-10-20(22(26)27)23-31(28,29)19-9-7-16-12-18(8-6-17(16)13-19)30-14-15-4-2-1-3-5-15/h1-9,12-13,20,23H,10-11,14H2,(H,24,25)(H,26,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26443 ((2R)-2-[(6-propoxynaphthalene-2-)sulfonamido]penta...) Show SMILES CCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H21NO7S/c1-2-9-26-14-5-3-13-11-15(6-4-12(13)10-14)27(24,25)19-16(18(22)23)7-8-17(20)21/h3-6,10-11,16,19H,2,7-9H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26450 ((2R)-2-{[6-(cyclopentyloxy)naphthalene-2-]sulfonam...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C20H23NO7S/c22-19(23)10-9-18(20(24)25)21-29(26,27)17-8-6-13-11-16(7-5-14(13)12-17)28-15-3-1-2-4-15/h5-8,11-12,15,18,21H,1-4,9-10H2,(H,22,23)(H,24,25)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26442 ((2R)-2-[(6-methoxynaphthalene-2-)sulfonamido]penta...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H17NO7S/c1-24-12-4-2-11-9-13(5-3-10(11)8-12)25(22,23)17-14(16(20)21)6-7-15(18)19/h2-5,8-9,14,17H,6-7H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26448 ((2R)-2-{[6-(carboxymethoxy)naphthalene-2-]sulfonam...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCC(O)=O)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO9S/c19-15(20)6-5-14(17(23)24)18-28(25,26)13-4-2-10-7-12(27-9-16(21)22)3-1-11(10)8-13/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26460 ((2S)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26440 ((2R)-2-(naphthalene-2-sulfonamido)pentanedioic aci...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C15H15NO6S/c17-14(18)8-7-13(15(19)20)16-23(21,22)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,16H,7-8H2,(H,17,18)(H,19,20)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26449 ((2R)-2-{[6-(3-carboxypropoxy)naphthalene-2-]sulfon...) Show SMILES OC(=O)CCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H21NO9S/c21-17(22)2-1-9-29-14-5-3-13-11-15(6-4-12(13)10-14)30(27,28)20-16(19(25)26)7-8-18(23)24/h3-6,10-11,16,20H,1-2,7-9H2,(H,21,22)(H,23,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26462 ((2R)-2-{[(6-butoxynaphthalen-2-yl)methyl]amino}pen...) Show SMILES CCCCOc1ccc2cc(CN[C@H](CCC(O)=O)C(O)=O)ccc2c1 |r| Show InChI InChI=1S/C20H25NO5/c1-2-3-10-26-17-7-6-15-11-14(4-5-16(15)12-17)13-21-18(20(24)25)8-9-19(22)23/h4-7,11-12,18,21H,2-3,8-10,13H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26466 ((2R)-2-[(4-butoxynaphthalene-1-)sulfonamido]pentan...) Show SMILES CCCCOc1ccc(c2ccccc12)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-12-27-16-9-10-17(14-7-5-4-6-13(14)16)28(25,26)20-15(19(23)24)8-11-18(21)22/h4-7,9-10,15,20H,2-3,8,11-12H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26465 ((2R)-2-[(5-butoxynaphthalene-1-)sulfonamido]pentan...) Show SMILES CCCCOc1cccc2c(cccc12)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-12-27-16-8-4-7-14-13(16)6-5-9-17(14)28(25,26)20-15(19(23)24)10-11-18(21)22/h4-9,15,20H,2-3,10-12H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26463 ((2R)-2-[(6-butoxynaphthalene-2-)(methyl)sulfonamid...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N(C)[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H25NO7S/c1-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21(2)18(20(24)25)9-10-19(22)23/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,22,23)(H,24,25)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26461 ((2R)-2-[(6-butoxynaphthalen-2-yl)formamido]pentane...) Show SMILES CCCCOc1ccc2cc(ccc2c1)C(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H23NO6/c1-2-3-10-27-16-7-6-13-11-15(5-4-14(13)12-16)19(24)21-17(20(25)26)8-9-18(22)23/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM24035 ((2R)-2-[(4-phenylbenzene)sulfonamido]pentanedioic ...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+6	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26457 (4-[(6-butoxynaphthalene-2-)sulfonamido]butanoic ac...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NCCCC(O)=O Show InChI InChI=1S/C18H23NO5S/c1-2-3-11-24-16-8-6-15-13-17(9-7-14(15)12-16)25(22,23)19-10-4-5-18(20)21/h6-9,12-13,19H,2-5,10-11H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26441 ((2R)-2-{[(2S)-2-(naphthalene-2-sulfonamido)propane...) Show SMILES C[C@@H](CS(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H22N2O8S2/c1-12(11-29(25,26)20-16(18(23)24)8-9-17(21)22)19-30(27,28)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16,19-20H,8-9,11H2,1H3,(H,21,22)(H,23,24)/t12-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26459 (1,5-dimethyl (2R)-2-[(6-butoxynaphthalene-2-)sulfo...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)OC |r| Show InChI InChI=1S/C21H27NO7S/c1-4-5-12-29-17-8-6-16-14-18(9-7-15(16)13-17)30(25,26)22-19(21(24)28-3)10-11-20(23)27-2/h6-9,13-14,19,22H,4-5,10-12H2,1-3H3/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26458 (2-[(6-butoxynaphthalene-2-)sulfonamido]acetic acid...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C16H19NO5S/c1-2-3-8-22-14-6-4-13-10-15(7-5-12(13)9-14)23(20,21)17-11-16(18)19/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26437 ((2R)-2-(phenylmethane)sulfonamidopentanedioic acid...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C12H15NO6S/c14-11(15)7-6-10(12(16)17)13-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)(H,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26438 ((2R)-2-[(4-acetamidobenzene)sulfonamido]pentanedio...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H16N2O7S/c1-8(16)14-9-2-4-10(5-3-9)23(21,22)15-11(13(19)20)6-7-12(17)18/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26439 ((2R)-2-[(4-methylbenzene)sulfonamido]pentanedioic ...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26435 ((2R)-2-[1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)...) Show SMILES OC(=O)CC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(O)=O |r| Show InChI InChI=1S/C15H14N2O7/c18-11(16-10(15(23)24)5-6-12(19)20)7-17-13(21)8-3-1-2-4-9(8)14(17)22/h1-4,10H,5-7H2,(H,16,18)(H,19,20)(H,23,24)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26430 ((2R)-2-[(2E)-3-phenylprop-2-enamido]pentanedioic a...) Show SMILES OC(=O)CC[C@@H](NC(=O)\C=C\c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C14H15NO5/c16-12(8-6-10-4-2-1-3-5-10)15-11(14(19)20)7-9-13(17)18/h1-6,8,11H,7,9H2,(H,15,16)(H,17,18)(H,19,20)/b8-6+/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26432 ((2R)-2-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)...) Show SMILES OC(=O)CC[C@@H](NC(=O)C1Oc2ccccc2NC1=O)C(O)=O |r| Show InChI InChI=1S/C14H14N2O7/c17-10(18)6-5-8(14(21)22)16-13(20)11-12(19)15-7-3-1-2-4-9(7)23-11/h1-4,8,11H,5-6H2,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t8-,11?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26433 ((2R)-2-[2-(naphthalen-2-yloxy)acetamido]pentanedio...) Show SMILES OC(=O)CC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO6/c19-15(18-14(17(22)23)7-8-16(20)21)10-24-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26434 ((2R)-2-[3-(3-hydroxyphenyl)propanamido]pentanedioi...) Show SMILES OC(=O)CC[C@@H](NC(=O)CCc1cccc(O)c1)C(O)=O |r| Show InChI InChI=1S/C14H17NO6/c16-10-3-1-2-9(8-10)4-6-12(17)15-11(14(20)21)5-7-13(18)19/h1-3,8,11,16H,4-7H2,(H,15,17)(H,18,19)(H,20,21)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26436 ((2R)-2-{[(2-chloro-4-fluorophenyl)methane]sulfonam...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C12H13ClFNO6S/c13-9-5-8(14)2-1-7(9)6-22(20,21)15-10(12(18)19)3-4-11(16)17/h1-2,5,10,15H,3-4,6H2,(H,16,17)(H,18,19)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
					More data for this Ligand-Target Pair