Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'kovac' and Initial = 'a'   

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-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase (Staphylococcus aureus)	BDBM50248217 (1-(4-Methoxyphenylsulfonamido)-3-morpholinopropan-...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C14H23N2O8PS/c1-22-12-2-4-14(5-3-12)26(20,21)15-10-13(24-25(17,18)19)11-16-6-8-23-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase (Staphylococcus aureus)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase (Staphylococcus aureus)	BDBM85279 (HEA derivative, 7f) Show SMILES CCc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C15H25N2O7PS/c1-2-13-3-5-15(6-4-13)26(21,22)16-11-14(24-25(18,19)20)12-17-7-9-23-10-8-17/h3-6,14,16H,2,7-12H2,1H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase (Staphylococcus aureus)	BDBM50248218 (1-(4-Fluorophenylsulfonamido)-3-morpholinopropan-2...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1 Show InChI InChI=1S/C13H20FN2O7PS/c14-11-1-3-13(4-2-11)25(20,21)15-9-12(23-24(17,18)19)10-16-5-7-22-8-6-16/h1-4,12,15H,5-10H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase (Staphylococcus aureus)	BDBM85278 (HEA derivative, 7e) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C14H23N2O7PS/c1-12-2-4-14(5-3-12)25(20,21)15-10-13(23-24(17,18)19)11-16-6-8-22-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM85277 (HEA derivative, 7d) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-2-1-3-13(8-11)28(23,24)18-9-12(26-27(20,21)22)10-19-4-6-25-7-5-19/h1-3,8,12,18H,4-7,9-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase (Staphylococcus aureus)	BDBM85277 (HEA derivative, 7d) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-2-1-3-13(8-11)28(23,24)18-9-12(26-27(20,21)22)10-19-4-6-25-7-5-19/h1-3,8,12,18H,4-7,9-10H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM85276 (HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM50248218 (1-(4-Fluorophenylsulfonamido)-3-morpholinopropan-2...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1 Show InChI InChI=1S/C13H20FN2O7PS/c14-11-1-3-13(4-2-11)25(20,21)15-9-12(23-24(17,18)19)10-16-5-7-22-8-6-16/h1-4,12,15H,5-10H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM85279 (HEA derivative, 7f) Show SMILES CCc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C15H25N2O7PS/c1-2-13-3-5-15(6-4-13)26(21,22)16-11-14(24-25(18,19)20)12-17-7-9-23-10-8-17/h3-6,14,16H,2,7-12H2,1H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50248217 (1-(4-Methoxyphenylsulfonamido)-3-morpholinopropan-...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C14H23N2O8PS/c1-22-12-2-4-14(5-3-12)26(20,21)15-10-13(24-25(17,18)19)11-16-6-8-23-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM85277 (HEA derivative, 7d) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)CN1CCOCC1 Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-2-1-3-13(8-11)28(23,24)18-9-12(26-27(20,21)22)10-19-4-6-25-7-5-19/h1-3,8,12,18H,4-7,9-10H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM50248217 (1-(4-Methoxyphenylsulfonamido)-3-morpholinopropan-...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C14H23N2O8PS/c1-22-12-2-4-14(5-3-12)26(20,21)15-10-13(24-25(17,18)19)11-16-6-8-23-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM85278 (HEA derivative, 7e) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C14H23N2O7PS/c1-12-2-4-14(5-3-12)25(20,21)15-10-13(23-24(17,18)19)11-16-6-8-22-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Escherichia coli)	BDBM85278 (HEA derivative, 7e) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C14H23N2O7PS/c1-12-2-4-14(5-3-12)25(20,21)15-10-13(23-24(17,18)19)11-16-6-8-22-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM85279 (HEA derivative, 7f) Show SMILES CCc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O Show InChI InChI=1S/C15H25N2O7PS/c1-2-13-3-5-15(6-4-13)26(21,22)16-11-14(24-25(18,19)20)12-17-7-9-23-10-8-17/h3-6,14,16H,2,7-12H2,1H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM50248218 (1-(4-Fluorophenylsulfonamido)-3-morpholinopropan-2...) Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1 Show InChI InChI=1S/C13H20FN2O7PS/c14-11-1-3-13(4-2-11)25(20,21)15-9-12(23-24(17,18)19)10-16-5-7-22-8-6-16/h1-4,12,15H,5-10H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+5	n/a	n/a	n/a	n/a	8.0	37
University of Ljubljana					Assay Description Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...				Bioorg Chem 37: 217-22 (2009) Article DOI: 10.1016/j.bioorg.2009.09.001 BindingDB Entry DOI: 10.7270/Q2D21W5D
					More data for this Ligand-Target Pair