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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM282 ((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Vertex | Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ... | J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase | Bioorg Med Chem Lett 22: 7127-30 (2012) Article DOI: 10.1016/j.bmcl.2012.09.071 BindingDB Entry DOI: 10.7270/Q2NP2793 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pBR322 plasmid after 45 mins by ethidium bromide staining based ag... | Eur J Med Chem 117: 197-211 (2016) Article DOI: 10.1016/j.ejmech.2016.03.079 BindingDB Entry DOI: 10.7270/Q27946KH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay | J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology & Science-Pilani Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi... | Bioorg Med Chem 22: 5970-87 (2014) Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit B (230/231 > 99%)† (Staphylococcus aureus) | BDBM282 ((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.6 | 25 |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus | Assay Description Supercoiling assay was performed using the commercially available kit (DNA gyrase supercoiling assay kit: SAS4001) from Inspiralis Pvt.limited, Norwi... | Chem Biol Drug Des 86: 918-25 (2015) Article DOI: 10.1111/cbdd.12529 BindingDB Entry DOI: 10.7270/Q2610Z29 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence... | J Med Chem 59: 8941-8954 (2016) Article DOI: 10.1021/acs.jmedchem.6b00864 BindingDB Entry DOI: 10.7270/Q25B04GJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence base... | J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase B preincubated for 10 mins followed by ATP addition measured after 30 mins by purine nucleoside phosph... | Eur J Med Chem 154: 117-132 (2018) Article DOI: 10.1016/j.ejmech.2018.05.011 BindingDB Entry DOI: 10.7270/Q2CV4M9N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pNO1 plasmid after 30 mins by SybrGOLD staining based fluorescence... | Eur J Med Chem 117: 197-211 (2016) Article DOI: 10.1016/j.ejmech.2016.03.079 BindingDB Entry DOI: 10.7270/Q27946KH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase A/DNA gyrase B supercoiling activity using relaxed pNO1 DNA as substrate after 30 mins in presence of ... | Eur J Med Chem 130: 171-184 (2017) Article DOI: 10.1016/j.ejmech.2017.02.046 BindingDB Entry DOI: 10.7270/Q22N54KZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining based fl... | Eur J Med Chem 125: 500-514 (2017) Article DOI: 10.1016/j.ejmech.2016.09.040 BindingDB Entry DOI: 10.7270/Q27W6FNX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3... | J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit B (230/231 > 99%)† (Staphylococcus aureus) | BDBM282 ((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 125 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus | Assay Description Initially, equimolar quantities of about 0.5µM each of E. coli gyraseA and S. aureus gyraseB were incubated for a period of 45 min with salmon sperm ... | Chem Biol Drug Des 86: 918-25 (2015) Article DOI: 10.1111/cbdd.12529 BindingDB Entry DOI: 10.7270/Q2610Z29 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology & Science-Pilani Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity | Bioorg Med Chem 22: 5970-87 (2014) Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui University of Technology Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase | Bioorg Med Chem 17: 1207-13 (2009) Article DOI: 10.1016/j.bmc.2008.12.034 BindingDB Entry DOI: 10.7270/Q2TF0156 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
DNA gyrase subunit A/B (230/231 > 99%)† (Staphylococcus aureus) | BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 457 | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui University of Technology Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity | Bioorg Med Chem 16: 4075-82 (2008) Article DOI: 10.1016/j.bmc.2008.01.035 BindingDB Entry DOI: 10.7270/Q2S75K3F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |