BDBM50080207 CHEMBL80142::{1-[((S)-1-Formyl-2-phenyl-ethyl)-hydroxymethyl-carbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CO)[C@@H](Cc1ccccc1)C=O
InChI Key: InChIKey=ZRLOUSTVAIBANI-BGERDNNASA-N
Data: 1 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)) | BDBM50080207 (CHEMBL80142 | {1-[((S)-1-Formyl-2-phenyl-ethyl)-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 400 | 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 |