BDBM50290686 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid::9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid::9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid::9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid (Mupirocin)::BRL-4910A::Bactroban::CHEMBL719::Centany::MUPIROCIN::Pseudomonic Acid::cid_446596
SMILES: C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
InChI Key: InChIKey=MINDHVHHQZYEEK-HBBNESRFSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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tRNA synthetase (IleRS) (Escherichia coli) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Katholieke Universiteit Leuven Curated by ChEMBL | Assay Description Competitive inhibition of Escherichia coli Isoleucyl-tRNA synthetase | Eur J Med Chem 46: 5227-36 (2011) Article DOI: 10.1016/j.ejmech.2011.08.049 BindingDB Entry DOI: 10.7270/Q2TF016N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoleucyl-tRNA synthetase (Homo sapiens (Human)) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase | Bioorg Med Chem Lett 7: 2805-2808 (1997) Article DOI: 10.1016/S0960-894X(97)10088-9 BindingDB Entry DOI: 10.7270/Q21Z44FK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoleucyl-tRNA synthetase (Staphylococcus aureus) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank PDB Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus C 7 | J Med Chem 39: 3596-600 (1996) Article DOI: 10.1021/jm950882q BindingDB Entry DOI: 10.7270/Q2TX3J3G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Isoleucyl-tRNA synthetase (Staphylococcus aureus) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank PDB Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus 11481 | J Med Chem 39: 3596-600 (1996) Article DOI: 10.1021/jm950882q BindingDB Entry DOI: 10.7270/Q2TX3J3G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Isoleucyl-tRNA synthetase (Staphylococcus aureus) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | DrugBank PDB Article PubMed | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd Curated by ChEMBL | Assay Description Inhibition concentration against Isoleucyl-tRNA synthetase from Staphylococcus aureus NCTC 6571 | J Med Chem 40: 2563-70 (1997) Article DOI: 10.1021/jm960738k BindingDB Entry DOI: 10.7270/Q2GH9MPZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PCBioAssay | n/a | n/a | n/a | n/a | 423 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |