BDBM50291192 CHEMBL345337::[(S)-1-[(R)-1-((R)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester
SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C=O
InChI Key: InChIKey=WQRMOCQQDGGYLR-ARMFNRFLSA-N
Data: 1 IC50
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)) | BDBM50291192 (CHEMBL345337 | [(S)-1-[(R)-1-((R)-1-Formyl-3-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity evaluated against recombinant human calpain 1 | Bioorg Med Chem Lett 7: 539-544 (1997) Article DOI: 10.1016/S0960-894X(97)00063-2 BindingDB Entry DOI: 10.7270/Q2W37WBM | |||||||||||
More data for this Ligand-Target Pair |