BDBM50121042 CHEMBL323638::[(S)-2-Naphthalen-2-yl-1-((5S,6R)-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester
SMILES: O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1
InChI Key: InChIKey=XJEBMYGPXQJVFF-FBLLAGFSSA-N
Data: 4 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)) | BDBM50121042 (CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease | Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50121042 (CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...) | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibitory activity of Cbz-Phe-Arg-AMC against Cathepsin B cysteine protease | Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin L (Rattus norvegicus) | BDBM50121042 (CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease | Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50121042 (CHEMBL323638 | [(S)-2-Naphthalen-2-yl-1-((5S,6R)-4...) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL | Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC | Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T | |||||||||||
More data for this Ligand-Target Pair |