BDBM50318559 (1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4-yl)methylamino]cyclohexane-1,2,3,4,5-pentaol::CHEMBL1085392
SMILES: CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1
InChI Key: InChIKey=GOWXONIFDQHALJ-ZDVFKUJDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis | J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
α-glucosidase (Saccharomyces cerevisiae S288c (Baker's yeast)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) Curated by ChEMBL | Assay Description Inhibition of yeast alpha-glucosidase | J Med Chem 54: 2069-79 (2011) Article DOI: 10.1021/jm101204u BindingDB Entry DOI: 10.7270/Q24F1R18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Probable alpha-glucosidase Os06g0675700 (Oryza sativa subsp. japonica) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) Curated by ChEMBL | Assay Description Inhibition of rice alpha-glucosidase | J Med Chem 54: 2069-79 (2011) Article DOI: 10.1021/jm101204u BindingDB Entry DOI: 10.7270/Q24F1R18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
α-galactosidase (Coffea arabica (Coffee beans)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) Curated by ChEMBL | Assay Description Inhibition of alpha-galactosidase from coffee beans | J Med Chem 54: 2069-79 (2011) Article DOI: 10.1021/jm101204u BindingDB Entry DOI: 10.7270/Q24F1R18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 5.2 | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry | J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry | J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry | J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | 5.2 | n/a |
Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) Curated by ChEMBL | Assay Description Inhibition of recombinant glucocerebrosidase in McIlvaine buffer at pH 5.2 after 10 mins by fluorometric analysis | J Med Chem 54: 2069-79 (2011) Article DOI: 10.1021/jm101204u BindingDB Entry DOI: 10.7270/Q24F1R18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-galactosidase (Bos taurus (Bovine)) | BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) Curated by ChEMBL | Assay Description Inhibition of bovine liver beta-galactosidase | J Med Chem 54: 2069-79 (2011) Article DOI: 10.1021/jm101204u BindingDB Entry DOI: 10.7270/Q24F1R18 | |||||||||||
More data for this Ligand-Target Pair |