BDBM50318563 (1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-triazol-4-yl)methylamino]cyclohexane-1,2,3,4,5-pentaol::CHEMBL1086532
SMILES: CCCCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1
InChI Key: InChIKey=NQJWAXBXRCRIRR-FPDSAVIVSA-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)) | BDBM50318563![]() ((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 80 | 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 | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM50318563![]() ((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...) | 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 | 90 | 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)) | BDBM50318563![]() ((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...) | 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 | 89.1 | 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)) | BDBM50318563![]() ((1R,2S,3r,4R,5S,6s)-6-[(1-Tetradecyl-1H-1,2,3-tria...) | 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 | 100 | 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 |