BDBM50137939 CHEMBL366793::{(S)-3-Methyl-1-[2-oxo-2-phenethylcarbamoyl-1-((S)-phenylmethyl)-ethylcarbamoyl]-butyl}-carbamic acid benzyl ester
SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
InChI Key: InChIKey=BQWHGKILBWBBEZ-MBMZGMDYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain small subunit 1 (Sus scrofa) | BDBM50137939 (CHEMBL366793 | {(S)-3-Methyl-1-[2-oxo-2-phenethylc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Binding affinity of the compound against porcine erythrocyte calpain I was determined | J Med Chem 47: 72-9 (2003) Article DOI: 10.1021/jm0301336 BindingDB Entry DOI: 10.7270/Q2ZP45KD | |||||||||||
More data for this Ligand-Target Pair |