BDBM50080206 CHEMBL311735::[1-((4S,5R)-4-Benzyl-5-hydroxy-oxazolidine-3-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester
SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CO[C@@H](O)[C@@H]1Cc1ccccc1
InChI Key: InChIKey=RQJMBUCEYHNCIW-PWKISDLSSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain1 (Homo sapiens (Human)) | BDBM50080206 (CHEMBL311735 | [1-((4S,5R)-4-Benzyl-5-hydroxy-oxaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Tested for inhibitory activity against calpain. | Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Bos taurus (bovine)) | BDBM50080206 (CHEMBL311735 | [1-((4S,5R)-4-Benzyl-5-hydroxy-oxaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Tested for inhibitory activity against bovine cathepsin B. | Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J | |||||||||||
More data for this Ligand-Target Pair |