Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'barreteau' and Initial = 'h'   

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-acetylglucosamine 1-carboxyvinyltransferase (Escherichia coli K-12 (Enterobacteria))	BDBM50024894 ((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...) Show SMILES C[C@@H]1O[C@@H]1P(O)(O)=O |r| Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K-12 MBP-fused C-terminal His-tagged MurA (6508 to 7768 residues) using UNAG as substrate preincubated for 10 mins fol...				Bioorg Med Chem Lett 27: 944-949 (2017) Article DOI: 10.1016/j.bmcl.2016.12.082 BindingDB Entry DOI: 10.7270/Q2ZS2ZSW
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447032 (CHEMBL3116334) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#7](-[#6]-c3ccc(-[#8])cc3)-[#6]-[#6]-c2c1C#N Show InChI InChI=1S/C25H25ClN6O3S/c26-21-6-5-17(35-10-8-30-25(28)29)11-19(21)23(34)31-24-20(12-27)18-7-9-32(14-22(18)36-24)13-15-1-3-16(33)4-2-15/h1-6,11,33H,7-10,13-14H2,(H,31,34)(H4,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447035 (CHEMBL3116331) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#7]-2-[#6]-[#6]-c3c(-[#6]-2)sc(-[#7]-[#6](=O)-c2cc(-[#8]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])ccc2Cl)c3C#N)cc1 Show InChI InChI=1S/C27H27ClN6O4S/c1-37-26(36)17-4-2-16(3-5-17)14-34-10-8-19-21(13-29)25(39-23(19)15-34)33-24(35)20-12-18(6-7-22(20)28)38-11-9-32-27(30)31/h2-7,12H,8-11,14-15H2,1H3,(H,33,35)(H4,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447044 (CHEMBL3112645) Show SMILES NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C#N Show InChI InChI=1S/C24H23ClN4O2S/c25-21-7-6-17(31-11-9-26)12-19(21)23(30)28-24-20(13-27)18-8-10-29(15-22(18)32-24)14-16-4-2-1-3-5-16/h1-7,12H,8-11,14-15,26H2,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447037 (CHEMBL3116329) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#7](-[#6]-c3ccccc3)-[#6]-[#6]-c2c1C#N Show InChI InChI=1S/C25H25ClN6O2S/c26-21-7-6-17(34-11-9-30-25(28)29)12-19(21)23(33)31-24-20(13-27)18-8-10-32(15-22(18)35-24)14-16-4-2-1-3-5-16/h1-7,12H,8-11,14-15H2,(H,31,33)(H4,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447048 (CHEMBL3112637) Show SMILES NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CC(CCc2c1C#N)c1ccc(O)cc1 Show InChI InChI=1S/C24H22ClN3O3S/c25-21-8-6-17(31-10-9-26)12-19(21)23(30)28-24-20(13-27)18-7-3-15(11-22(18)32-24)14-1-4-16(29)5-2-14/h1-2,4-6,8,12,15,29H,3,7,9-11,26H2,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447033 (CHEMBL3116333) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#7](-[#6]-c3ccc(cc3)C#N)-[#6]-[#6]-c2c1C#N Show InChI InChI=1S/C26H24ClN7O2S/c27-22-6-5-18(36-10-8-32-26(30)31)11-20(22)24(35)33-25-21(13-29)19-7-9-34(15-23(19)37-25)14-17-3-1-16(12-28)2-4-17/h1-6,11H,7-10,14-15H2,(H,33,35)(H4,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447036 (CHEMBL3116330) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6]-[#6]-c3c(-[#6]-2)sc(-[#7]-[#6](=O)-c2cc(-[#8]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])ccc2Cl)c3C#N)cc1 Show InChI InChI=1S/C26H27ClN6O3S/c1-35-17-4-2-16(3-5-17)14-33-10-8-19-21(13-28)25(37-23(19)15-33)32-24(34)20-12-18(6-7-22(20)27)36-11-9-31-26(29)30/h2-7,12H,8-11,14-15H2,1H3,(H,32,34)(H4,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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 (Streptococcus pneumoniae)	BDBM50447050 (CHEMBL3112632) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#6]-[#6]-[#6]-c2c1C#N Show InChI InChI=1S/C19H20ClN5O2S/c20-15-6-5-11(27-8-7-24-19(22)23)9-13(15)17(26)25-18-14(10-21)12-3-1-2-4-16(12)28-18/h5-6,9H,1-4,7-8H2,(H,25,26)(H4,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447049 (CHEMBL3112633) Show SMILES NC(=N)NCCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C20H22ClN5O2S/c21-16-7-6-12(28-9-3-8-25-20(23)24)10-14(16)18(27)26-19-15(11-22)13-4-1-2-5-17(13)29-19/h6-7,10H,1-5,8-9H2,(H,26,27)(H4,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-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))	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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447045 (CHEMBL3112644) Show SMILES FC(F)(F)C(=O)NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CN(Cc3ccc(cc3)-n3cnnn3)CCc2c1C#N Show InChI InChI=1S/C27H22ClF3N8O3S/c28-22-6-5-18(42-10-8-33-26(41)27(29,30)31)11-20(22)24(40)35-25-21(12-32)19-7-9-38(14-23(19)43-25)13-16-1-3-17(4-2-16)39-15-34-36-37-39/h1-6,11,15H,7-10,13-14H2,(H,33,41)(H,35,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447040 (CHEMBL3116326) Show SMILES NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CN(Cc3ccc(cc3)C#N)CCc2c1C#N Show InChI InChI=1S/C25H22ClN5O2S/c26-22-6-5-18(33-10-8-27)11-20(22)24(32)30-25-21(13-29)19-7-9-31(15-23(19)34-25)14-17-3-1-16(12-28)2-4-17/h1-6,11H,7-10,14-15,27H2,(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447038 (CHEMBL3116328) Show SMILES COC(=O)c1ccc(CN2CCc3c(C2)sc(NC(=O)c2cc(OCCN)ccc2Cl)c3C#N)cc1 Show InChI InChI=1S/C26H25ClN4O4S/c1-34-26(33)17-4-2-16(3-5-17)14-31-10-8-19-21(13-29)25(36-23(19)15-31)30-24(32)20-12-18(35-11-9-28)6-7-22(20)27/h2-7,12H,8-11,14-15,28H2,1H3,(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447034 (CHEMBL3116332) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#7](-[#6]-c3cccc(-[#8])c3)-[#6]-[#6]-c2c1C#N Show InChI InChI=1S/C25H25ClN6O3S/c26-21-5-4-17(35-9-7-30-25(28)29)11-19(21)23(34)31-24-20(12-27)18-6-8-32(14-22(18)36-24)13-15-2-1-3-16(33)10-15/h1-5,10-11,33H,6-9,13-14H2,(H,31,34)(H4,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447041 (CHEMBL3112648) Show SMILES NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CN(Cc3cccc(O)c3)CCc2c1C#N Show InChI InChI=1S/C24H23ClN4O3S/c25-21-5-4-17(32-9-7-26)11-19(21)23(31)28-24-20(12-27)18-6-8-29(14-22(18)33-24)13-15-2-1-3-16(30)10-15/h1-5,10-11,30H,6-9,13-14,26H2,(H,28,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447043 (CHEMBL3112646) Show SMILES COc1ccc(CN2CCc3c(C2)sc(NC(=O)c2cc(OCCN)ccc2Cl)c3C#N)cc1 Show InChI InChI=1S/C25H25ClN4O3S/c1-32-17-4-2-16(3-5-17)14-30-10-8-19-21(13-28)25(34-23(19)15-30)29-24(31)20-12-18(33-11-9-27)6-7-22(20)26/h2-7,12H,8-11,14-15,27H2,1H3,(H,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447055 (CHEMBL3112590) Show SMILES Clc1cnn(COc2cccc(c2)C(=O)Nc2sc3CCCc3c2C#N)c1 Show InChI InChI=1S/C19H15ClN4O2S/c20-13-9-22-24(10-13)11-26-14-4-1-3-12(7-14)18(25)23-19-16(8-21)15-5-2-6-17(15)27-19/h1,3-4,7,9-10H,2,5-6,11H2,(H,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447052 (CHEMBL3112630) Show SMILES NCCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C19H20ClN3O2S/c20-16-7-6-12(25-9-3-8-21)10-14(16)18(24)23-19-15(11-22)13-4-1-2-5-17(13)26-19/h6-7,10H,1-5,8-9,21H2,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447046 (CHEMBL3112640) Show SMILES COc1ccc(CN2CCc3c(C2)sc(NC(=O)c2cc(OCCNC(=O)C(F)(F)F)ccc2Cl)c3C#N)cc1 Show InChI InChI=1S/C27H24ClF3N4O4S/c1-38-17-4-2-16(3-5-17)14-35-10-8-19-21(13-32)25(40-23(19)15-35)34-24(36)20-12-18(6-7-22(20)28)39-11-9-33-26(37)27(29,30)31/h2-7,12H,8-11,14-15H2,1H3,(H,33,37)(H,34,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447051 (CHEMBL3112631) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#7]-c1sc2-[#6]-[#6]-[#6]-[#6]-c2c1C#N Show InChI InChI=1S/C19H21N5O2S/c20-11-15-14-6-1-2-7-16(14)27-18(15)24-17(25)12-4-3-5-13(10-12)26-9-8-23-19(21)22/h3-5,10H,1-2,6-9H2,(H,24,25)(H4,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447053 (CHEMBL3112629) Show SMILES NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C18H18ClN3O2S/c19-15-6-5-11(24-8-7-20)9-13(15)17(23)22-18-14(10-21)12-3-1-2-4-16(12)25-18/h5-6,9H,1-4,7-8,20H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447047 (CHEMBL3112639) Show SMILES FC(F)(F)C(=O)NCCOc1ccc(Cl)c(c1)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C#N Show InChI InChI=1S/C26H22ClF3N4O3S/c27-21-7-6-17(37-11-9-32-25(36)26(28,29)30)12-19(21)23(35)33-24-20(13-31)18-8-10-34(15-22(18)38-24)14-16-4-2-1-3-5-16/h1-7,12H,8-11,14-15H2,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/TrEMBL 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
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447054 (CHEMBL3112649) Show SMILES NCCNS(=O)(=O)c1cc(C(=O)Nc2sc3CCCCc3c2C#N)c(Cl)cc1Cl Show InChI InChI=1S/C18H18Cl2N4O3S2/c19-13-8-14(20)16(29(26,27)23-6-5-21)7-11(13)17(25)24-18-12(9-22)10-3-1-2-4-15(10)28-18/h7-8,23H,1-6,21H2,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					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

Displayed 1 to 50 (of 55 total )  |  Next  |  Last  >>

Jump to: