BDBM50039998 CHEMBL99129::[(S)-1-((S)-1-Ethylcarbamoyl-butylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
SMILES: CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCC
InChI Key: InChIKey=GWLZMBFVBYHGBD-ROUUACIJSA-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)) | BDBM50039998 (CHEMBL99129 | [(S)-1-((S)-1-Ethylcarbamoyl-butylca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alkermes, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of porcine erythrocyte calpain 1. | J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64 | |||||||||||
More data for this Ligand-Target Pair |