Compounds in cluster

15 molecules are shown

Wt: 367.3 BDBM26442	Wt: 395.4 BDBM26443	Wt: 409.4 BDBM26444	Wt: 423.4 BDBM26445	Wt: 437.5 BDBM26446
Wt: 411.3 BDBM26448	Wt: 439.4 BDBM26449	Wt: 443.4 BDBM26451	Wt: 471.5 BDBM26452	Wt: 468.4 BDBM26453
Wt: 498.5 BDBM26454	Wt: 486.4 BDBM26455	Wt: 468.4 BDBM26456	Wt: 409.4 BDBM26460	Wt: 409.4 BDBM26464

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 26442,26443,26444,26445,26446,26448,26449,26451,26452,26453,26454,26455,26456,26460,26464
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26442 ((2R)-2-[(6-methoxynaphthalene-2-)sulfonamido]penta...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 56 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
Slovenia National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26445 ((2R)-2-{[6-(pentyloxy)naphthalene-2-]sulfonamido}p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26446 ((2R)-2-{[6-(hexyloxy)naphthalene-2-]sulfonamido}pe...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26448 ((2R)-2-{[6-(carboxymethoxy)naphthalene-2-]sulfonam...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26449 ((2R)-2-{[6-(3-carboxypropoxy)naphthalene-2-]sulfon...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26451 ((2R)-2-{[6-(benzyloxy)naphthalene-2-]sulfonamido}p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26452 ((2R)-2-{[6-(3-phenylpropoxy)naphthalene-2-]sulfona...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26453 ((2R)-2-({6-[(4-cyanophenyl)methoxy]naphthalene-2-}...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26454 ((2R)-2-({6-[(4-cyano-2-methoxyphenyl)methoxy]napht...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26456 ((2R)-2-({7-[(4-cyanophenyl)methoxy]naphthalene-2-}...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26460 ((2S)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26464 ((2R)-2-[(7-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	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				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26460 ((2S)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
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				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	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				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 4 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
Slovenia National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 123 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
Slovenia National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 9 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
Slovenia National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 13 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
Slovenia National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26443 ((2R)-2-[(6-propoxynaphthalene-2-)sulfonamido]penta...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+5	n/a	n/a	n/a	n/a	8.6	37
Lek Pharmaceuticals d.d.					Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re...				J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN
Lek Pharmaceuticals d.d.					More data for this Ligand-Target Pair				3D Structure (docked)