BDBM50080208 CHEMBL73869::[(R)-1-((2R,3S)-3-Benzyl-2-hydroxy-morpholine-4-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester
SMILES: CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H](O)[C@@H]1Cc1ccccc1
InChI Key: InChIKey=YDNOFGWPYHDALS-QZNHQXDQSA-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)) | BDBM50080208 (CHEMBL73869 | [(R)-1-((2R,3S)-3-Benzyl-2-hydroxy-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.60E+4 | 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 |