BDBM50121903 CHEMBL31272::[(S)-1-((3R,4R)-2-Oxo-4-phenylsulfanyl-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Sc1ccccc1)OCc1ccccc1
InChI Key: InChIKey=LKVLCOTZWXWKQV-SGIRGMQISA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin K (Homo sapiens (Human)) | BDBM50121903 (CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human Cathepsin K | Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50121903 (CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin S | Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50121903 (CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of human leukocyte elastase(HLE) | Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Rattus norvegicus) | BDBM50121903 (CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant rat Cathepsin B | Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50121903 (CHEMBL31272 | [(S)-1-((3R,4R)-2-Oxo-4-phenylsulfan...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human Cathepsin L | Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB | |||||||||||
More data for this Ligand-Target Pair |