Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50045145   

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))	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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli MurD using D-Glu substrate by steady-state enzyme kinetics 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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Partial non-competitive inhibition of Escherichia coli MurD using UMA substrate by steady-state enzyme kinetics 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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Partial un-competitive inhibition of Escherichia coli MurD using ATP substrate by steady-state enzyme kinetics 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)	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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046827 (CHEMBL3310467) Show SMILES Clc1ccc(cc1)N1C(=S)NC(=O)\C(=C\c2cc3ccccc3[nH]2)C1=O Show InChI InChI=1S/C19H12ClN3O2S/c20-12-5-7-14(8-6-12)23-18(25)15(17(24)22-19(23)26)10-13-9-11-3-1-2-4-16(11)21-13/h1-10,21H,(H,22,24,26)/b15-10-	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 MurE 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)	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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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 MurD 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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+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 MurD 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-acetylmuramoyl-tripeptide--D-alanyl-D-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	8.90E+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 MurF 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	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	8.90E+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 MurE 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	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	9.30E+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 MurE 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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50046816 (CHEMBL3310459) Show SMILES Cc1cc(\C=C2\SC(=S)NC2=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C18H14N2O5S2/c1-8-3-10(7-14-15(21)19-18(26)27-14)9(2)20(8)13-5-11(16(22)23)4-12(6-13)17(24)25/h3-7H,1-2H3,(H,22,23)(H,24,25)(H,19,21,26)/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+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 MurD 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-acetylmuramoyl-tripeptide--D-alanyl-D-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	1.02E+5	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 MurF 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)	BDBM50046814 (CHEMBL3310462) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O5S/c1-13-4-6-19(7-5-13)26-25-27-22(29)21(34-25)12-16-8-14(2)28(15(16)3)20-10-17(23(30)31)9-18(11-20)24(32)33/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+5	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)	BDBM50046816 (CHEMBL3310459) Show SMILES Cc1cc(\C=C2\SC(=S)NC2=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C18H14N2O5S2/c1-8-3-10(7-14-15(21)19-18(26)27-14)9(2)20(8)13-5-11(16(22)23)4-12(6-13)17(24)25/h3-7H,1-2H3,(H,22,23)(H,24,25)(H,19,21,26)/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+5	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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50046817 (CHEMBL3310463) Show SMILES COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O6S/c1-13-8-15(14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33)12-21-22(29)27-25(35-21)26-18-4-6-20(34-3)7-5-18/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+5	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 MurD 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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50046814 (CHEMBL3310462) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O5S/c1-13-4-6-19(7-5-13)26-25-27-22(29)21(34-25)12-16-8-14(2)28(15(16)3)20-10-17(23(30)31)9-18(11-20)24(32)33/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	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 MurD 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)	BDBM50046817 (CHEMBL3310463) Show SMILES COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O6S/c1-13-8-15(14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33)12-21-22(29)27-25(35-21)26-18-4-6-20(34-3)7-5-18/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+5	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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM50046814 (CHEMBL3310462) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O5S/c1-13-4-6-19(7-5-13)26-25-27-22(29)21(34-25)12-16-8-14(2)28(15(16)3)20-10-17(23(30)31)9-18(11-20)24(32)33/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+5	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 MurF 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)	BDBM50046815 (CHEMBL3310461) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H19N3O5S/c1-13-8-15(12-20-21(28)26-24(33-20)25-18-6-4-3-5-7-18)14(2)27(13)19-10-16(22(29)30)9-17(11-19)23(31)32/h3-12H,1-2H3,(H,29,30)(H,31,32)(H,25,26,28)/b20-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+5	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-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50046815 (CHEMBL3310461) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H19N3O5S/c1-13-8-15(12-20-21(28)26-24(33-20)25-18-6-4-3-5-7-18)14(2)27(13)19-10-16(22(29)30)9-17(11-19)23(31)32/h3-12H,1-2H3,(H,29,30)(H,31,32)(H,25,26,28)/b20-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+5	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 MurD 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046824 (CHEMBL3310458) Show SMILES Cc1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H18BrN3O7/c1-12-7-14(13(2)28(12)19-9-15(23(32)33)8-16(10-19)24(34)35)11-20-21(30)27-25(36)29(22(20)31)18-5-3-17(26)4-6-18/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b20-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+5	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 MurE 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046814 (CHEMBL3310462) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O5S/c1-13-4-6-19(7-5-13)26-25-27-22(29)21(34-25)12-16-8-14(2)28(15(16)3)20-10-17(23(30)31)9-18(11-20)24(32)33/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+5	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 MurE 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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM50046817 (CHEMBL3310463) Show SMILES COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O6S/c1-13-8-15(14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33)12-21-22(29)27-25(35-21)26-18-4-6-20(34-3)7-5-18/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.81E+5	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 MurF 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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM50046815 (CHEMBL3310461) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H19N3O5S/c1-13-8-15(12-20-21(28)26-24(33-20)25-18-6-4-3-5-7-18)14(2)27(13)19-10-16(22(29)30)9-17(11-19)23(31)32/h3-12H,1-2H3,(H,29,30)(H,31,32)(H,25,26,28)/b20-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+5	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 MurF 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046817 (CHEMBL3310463) Show SMILES COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O6S/c1-13-8-15(14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33)12-21-22(29)27-25(35-21)26-18-4-6-20(34-3)7-5-18/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.03E+5	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 MurE 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046823 (CHEMBL3310457) Show SMILES Cc1cc(\C=C2\C(=O)NC(=S)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H18FN3O6S/c1-12-7-14(13(2)28(12)17-9-15(23(32)33)8-16(10-17)24(34)35)11-18-21(30)27-25(36)29(22(18)31)20-6-4-3-5-19(20)26/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b18-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+5	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 MurE 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046822 (CHEMBL3310456) Show SMILES CCc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2cc(C)n(c2C)-c2cc(cc(c2)C(O)=O)C(O)=O)C1=O Show InChI InChI=1S/C27H23N3O7/c1-4-16-5-7-20(8-6-16)30-24(32)22(23(31)28-27(30)37)13-17-9-14(2)29(15(17)3)21-11-18(25(33)34)10-19(12-21)26(35)36/h5-13H,4H2,1-3H3,(H,33,34)(H,35,36)(H,28,31,37)/b22-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+5	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 MurE 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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM50046823 (CHEMBL3310457) Show SMILES Cc1cc(\C=C2\C(=O)NC(=S)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H18FN3O6S/c1-12-7-14(13(2)28(12)17-9-15(23(32)33)8-16(10-17)24(34)35)11-18-21(30)27-25(36)29(22(18)31)20-6-4-3-5-19(20)26/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b18-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+5	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 MurF 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-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046815 (CHEMBL3310461) Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H19N3O5S/c1-13-8-15(12-20-21(28)26-24(33-20)25-18-6-4-3-5-7-18)14(2)27(13)19-10-16(22(29)30)9-17(11-19)23(31)32/h3-12H,1-2H3,(H,29,30)(H,31,32)(H,25,26,28)/b20-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+5	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 MurE 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