Compile Data Set for Download or QSAR

Found 63 hits of ic50 for UniProtKB: P17952   

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
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123124 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCc3cc(=O)c(O)cn3O)c3ccccc3)nc3[nH]ncc23)cc1C(C)(C)C |r| Show InChI InChI=1S/C27H32N10O6/c1-27(2,3)22-11-23(33-36(22)4)31-24-21-13-29-35-43(21)34-25(32-24)30-18(16-8-6-5-7-9-16)15-42-26(40)28-12-17-10-19(38)20(39)14-37(17)41/h5-11,13-14,18,35,39,41H,12,15H2,1-4H3,(H,28,40)(H2,30,31,32,33,34)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123114 ((1R,2S)-1-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@H]3[C@@H](O)Cc4ccccc34)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123125 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES CN1[C@H](CNC(=O)OC[C@H](Nc2nc(Nc3cc(n(C)n3)C(C)(C)C)c3c[nH]nc3n2)c2ccccc2)CNC1=O Show InChI InChI=1S/C27H35N11O3/c1-27(2,3)20-11-21(36-38(20)5)32-22-18-14-30-35-23(18)34-24(33-22)31-19(16-9-7-6-8-10-16)15-41-26(40)29-13-17-12-28-25(39)37(17)4/h6-11,14,17,19H,12-13,15H2,1-5H3,(H,28,39)(H,29,40)(H3,30,31,32,33,34,35,36)/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123122 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C24H31N9O3/c1-24(2,3)18-12-19(32-33(18)4)28-20-16-13-26-31-21(16)30-22(29-20)27-17(15-8-6-5-7-9-15)14-36-23(35)25-10-11-34/h5-9,12-13,17,34H,10-11,14H2,1-4H3,(H,25,35)(H3,26,27,28,29,30,31,32)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123118 ((S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C21H25FN8O/c1-21(2,3)16-9-17(29-30(16)4)25-18-14-10-23-28-19(14)27-20(26-18)24-15(11-31)12-6-5-7-13(22)8-12/h5-10,15,31H,11H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123123 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123127 ((R)-((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)N3CCOC(CN)C3)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18?,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123111 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123112 ((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123119 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES COc1cc(ccn1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C21H27N9O2/c1-21(2,3)15-9-16(29-30(15)4)25-18-13-10-23-28-19(13)27-20(26-18)24-14(11-31)12-6-7-22-17(8-12)32-5/h6-10,14,31H,11H2,1-5H3,(H3,23,24,25,26,27,28,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123117 ((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES COc1ccc(cc1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C22H28N8O2/c1-22(2,3)17-10-18(29-30(17)4)25-19-15-11-23-28-20(15)27-21(26-19)24-16(12-31)13-6-8-14(32-5)9-7-13/h6-11,16,31H,12H2,1-5H3,(H3,23,24,25,26,27,28,29)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123115 ((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccn3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C20H25N9O/c1-20(2,3)15-9-16(28-29(15)4)24-17-12-10-22-27-18(12)26-19(25-17)23-14(11-30)13-7-5-6-8-21-13/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119081 (MurC inhibitor (compound 20)) Show SMILES CC(CP(O)(=O)CO[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C22H36N3O21P3/c1-9(20(32)33)7-47(35,36)8-41-18-14(23-10(2)27)21(44-11(5-26)16(18)30)45-49(39,40)46-48(37,38)42-6-12-15(29)17(31)19(43-12)25-4-3-13(28)24-22(25)34/h3-4,9,11-12,14-19,21,26,29-31H,5-8H2,1-2H3,(H,23,27)(H,32,33)(H,35,36)(H,37,38)(H,39,40)(H,24,28,34)/t9?,11-,12-,14-,15-,16-,17-,18-,19-,21?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123121 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C22H27N9O3/c1-22(2,3)16-10-17(29-31(16)4)25-18-14-11-23-28-19(14)27-20(26-18)24-15(12-34-21(32)30-33)13-8-6-5-7-9-13/h5-11,15,33H,12H2,1-4H3,(H,30,32)(H3,23,24,25,26,27,28,29)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123120 ((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccncc3Cl)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C20H24ClN9O/c1-20(2,3)15-7-16(29-30(15)4)25-17-12-8-23-28-18(12)27-19(26-17)24-14(10-31)11-5-6-22-9-13(11)21/h5-9,14,31H,10H2,1-4H3,(H3,23,24,25,26,27,28,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123126 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN3CCC(=O)N3)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C27H35N11O3/c1-27(2,3)20-14-21(35-37(20)4)31-23-18-15-29-34-24(18)33-25(32-23)30-19(17-8-6-5-7-9-17)16-41-26(40)28-11-13-38-12-10-22(39)36-38/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,28,40)(H,36,39)(H3,29,30,31,32,33,34,35)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123113 ((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cc1cc(on1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C19H25N9O2/c1-10-6-13(30-27-10)12(9-29)21-18-23-16(11-8-20-25-17(11)24-18)22-15-7-14(19(2,3)4)28(5)26-15/h6-8,12,29H,9H2,1-5H3,(H3,20,21,22,23,24,25,26)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123109 (2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-...) Show SMILES Cn1nc(Nc2nc(NC(CO)C3CCOCC3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C20H30N8O2/c1-20(2,3)15-9-16(27-28(15)4)23-17-13-10-21-26-18(13)25-19(24-17)22-14(11-29)12-5-7-30-8-6-12/h9-10,12,14,29H,5-8,11H2,1-4H3,(H3,21,22,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123110 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C18H28N8O/c1-10(2)12(9-27)20-17-22-15(11-8-19-24-16(11)23-17)21-14-7-13(18(3,4)5)26(6)25-14/h7-8,10,12,27H,9H2,1-6H3,(H3,19,20,21,22,23,24,25)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119083 (MurC inhibitor (compound 22)) Show SMILES Cc1ccc(s1)C(=O)NS(=O)(=O)c1ccc(cc1)-c1cc2cc(ccc2o1)-c1ccccc1 Show InChI InChI=1S/C26H19NO4S2/c1-17-7-14-25(32-17)26(28)27-33(29,30)22-11-8-19(9-12-22)24-16-21-15-20(10-13-23(21)31-24)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475590 (CHEMBL370421) Show SMILES OC1=C(C(=O)O\C1=C/c1cc(ccc1F)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H13F5O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)14-6-8-17(19(26)11-14)13-4-2-1-3-5-13/h1-12,30H/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475601 (CHEMBL199812) Show SMILES OC1=C(C(=O)O\C1=C/c1cc(ccc1Cl)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H13ClF4O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)14-6-8-17(19(26)11-14)13-4-2-1-3-5-13/h1-12,30H/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475579 (CHEMBL382202) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)-c1cccc(Cl)c1)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C23H14Cl2O3/c24-18-8-2-6-16(12-18)15-5-1-4-14(10-15)11-20-22(26)21(23(27)28-20)17-7-3-9-19(25)13-17/h1-13,26H/b20-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475600 (CHEMBL381006) Show SMILES COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC |c:17| Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-6-4-3-5-18(20)19-8-7-14(9-21(19)31-2)10-22-24(28)23(25(29)32-22)15-11-16(26)13-17(27)12-15/h3-13,29H,1-2H3/b22-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119122 (MurA/B/C/D/E inhibitor (compound 67)) Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475585 (CHEMBL381445) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc2ccccc12)c1cccc(c1)C(F)(F)F |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-9-4-8-15(11-16)19-20(26)18(28-21(19)27)12-14-7-3-6-13-5-1-2-10-17(13)14/h1-12,26H/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475583 (CHEMBL372594) Show SMILES OC1=C(C(=O)O\C1=C/c1ccc2ccccc2c1)c1cccc(c1)C(F)(F)F |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)17-7-3-6-16(12-17)19-20(26)18(28-21(19)27)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-12,26H/b18-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475606 (CHEMBL199580) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc2ccccc2c1 |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)17-7-3-4-13(10-17)11-18-20(26)19(21(27)28-18)16-9-8-14-5-1-2-6-15(14)12-16/h1-12,26H/b18-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475589 (CHEMBL199674) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 |t:1| Show InChI InChI=1S/C18H10ClF3O3/c19-13-6-4-11(5-7-13)15-16(23)14(25-17(15)24)9-10-2-1-3-12(8-10)18(20,21)22/h1-9,23H/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475592 (CHEMBL372151) Show SMILES OC1=C(C(=O)O\C1=C(\C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H16F3NO4/c26-25(27,28)17-12-7-13-18(14-17)29-23(31)20(16-10-5-2-6-11-16)22-21(30)19(24(32)33-22)15-8-3-1-4-9-15/h1-14,30H,(H,29,31)/b22-20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475593 (CHEMBL199553) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H14F4O3/c25-19-13-16(9-10-18(19)15-6-2-1-3-7-15)21-22(29)20(31-23(21)30)12-14-5-4-8-17(11-14)24(26,27)28/h1-13,29H/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475595 (CHEMBL199757) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(cc1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H15F3O3/c25-24(26,27)19-8-4-5-15(13-19)14-20-22(28)21(23(29)30-20)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-14,28H/b20-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475588 (CHEMBL197865) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc2ccccc12)c1ccc(Cl)cc1 |t:1| Show InChI InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475607 (CHEMBL199629) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1Cl)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H13ClF4O3/c25-21-15(7-4-8-17(21)24(27,28)29)12-19-22(30)20(23(31)32-19)14-9-10-16(18(26)11-14)13-5-2-1-3-6-13/h1-12,30H/b19-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475591 (CHEMBL382328) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)-c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1 |t:1| Show InChI InChI=1S/C23H12Cl4O3/c24-16-6-14(7-17(25)10-16)13-3-1-2-12(4-13)5-20-22(28)21(23(29)30-20)15-8-18(26)11-19(27)9-15/h1-11,28H/b20-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475584 (CHEMBL197817) Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(cc1)-c1ccccc1)c1cccc2ccccc12 |t:1| Show InChI InChI=1S/C27H18O3/c28-26-24(17-18-13-15-20(16-14-18)19-7-2-1-3-8-19)30-27(29)25(26)23-12-6-10-21-9-4-5-11-22(21)23/h1-17,28H/b24-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475602 (CHEMBL199929) Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(cc1)-c1ccccc1)c1ccc2ccccc2c1 |t:1| Show InChI InChI=1S/C27H18O3/c28-26-24(16-18-10-12-21(13-11-18)19-6-2-1-3-7-19)30-27(29)25(26)23-15-14-20-8-4-5-9-22(20)17-23/h1-17,28H/b24-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119082 (MurC inhibitor (compound 21)) Show SMILES [O-][N+](=O)c1ccc(SCc2ccc(Cl)cc2)c(\C=C2/CC(=S)NC2=O)c1 Show InChI InChI=1S/C18H13ClN2O3S2/c19-14-3-1-11(2-4-14)10-26-16-6-5-15(21(23)24)8-12(16)7-13-9-17(25)20-18(13)22/h1-8H,9-10H2,(H,20,22,25)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475604 (CHEMBL380784) Show SMILES OC1=C(C(=O)O\C1=C/C1CCCCC1)c1ccc2ccccc2c1 |t:1| Show InChI InChI=1S/C21H20O3/c22-20-18(12-14-6-2-1-3-7-14)24-21(23)19(20)17-11-10-15-8-4-5-9-16(15)13-17/h4-5,8-14,22H,1-3,6-7H2/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475580 (CHEMBL199546) Show SMILES OC1=C(C(=O)O\C1=C/C1CCCCC1)c1cccc(c1)C(F)(F)F |t:1| Show InChI InChI=1S/C18H17F3O3/c19-18(20,21)13-8-4-7-12(10-13)15-16(22)14(24-17(15)23)9-11-5-2-1-3-6-11/h4,7-11,22H,1-3,5-6H2/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119086 (MurC/D inhibitor (compound 25) | MurD inhibitor (c...) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1 |w:14.14| Show InChI InChI=1S/C24H18BrN3O3S/c25-21-7-3-6-20(14-21)24(29)27-22-11-8-17(9-12-22)16-26-28-32(30,31)23-13-10-18-4-1-2-5-19(18)15-23/h1-16,28H,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119084 (MurC inhibitor (compound 23)) Show SMILES CC(Oc1nc2ccccc2nc1N)c1ccccc1 Show InChI InChI=1S/C16H15N3O/c1-11(12-7-3-2-4-8-12)20-16-15(17)18-13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM119088 (MurC/D inhibitor (compound 27)) Show SMILES Oc1ccc(C=NNC(=O)c2cnc(s2)-c2ccccc2)c(O)c1O |w:5.4| Show InChI InChI=1S/C17H13N3O4S/c21-12-7-6-11(14(22)15(12)23)8-19-20-16(24)13-9-18-17(25-13)10-4-2-1-3-5-10/h1-9,21-23H,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475598 (CHEMBL381658) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)15-8-3-5-13(11-15)12-18-20(26)19(21(27)28-18)17-10-4-7-14-6-1-2-9-16(14)17/h1-12,26H/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475586 (CHEMBL198030) Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(cc1)-c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1 |t:1| Show InChI InChI=1S/C23H12Cl4O3/c24-16-6-14(7-17(25)10-16)13-3-1-12(2-4-13)5-20-22(28)21(23(29)30-20)15-8-18(26)11-19(27)9-15/h1-11,28H/b20-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475581 (CHEMBL382548) Show SMILES COc1ccc(cc1)C1=C(O)O\C(=C/c2cccc(c2)C(F)(F)F)C1=O |c:9| Show InChI InChI=1S/C19H13F3O4/c1-25-14-7-5-12(6-8-14)16-17(23)15(26-18(16)24)10-11-3-2-4-13(9-11)19(20,21)22/h2-10,24H,1H3/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50046818 (CHEMBL3310464) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Escherichia coli MurC after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay				Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475594 (CHEMBL199962) Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |t:1| Show InChI InChI=1S/C23H15ClO3/c24-19-12-6-15(7-13-19)14-20-22(25)21(23(26)27-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14,25H/b20-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50046819 (CHEMBL3310465) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18BrN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Escherichia coli MurC after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay				Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50475605 (CHEMBL199457) Show SMILES COc1ccc(cc1)C1=C(O)O\C(=C/c2cccc3ccccc23)C1=O |c:9| Show InChI InChI=1S/C22H16O4/c1-25-17-11-9-15(10-12-17)20-21(23)19(26-22(20)24)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-13,24H,1H3/b19-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurC in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
					More data for this Ligand-Target Pair

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