BDBM50124028 (S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic acid (1-benzyl-2-oxo-ethyl)-amide::CHEMBL350182
SMILES: CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O
InChI Key: InChIKey=IUYFIAVTVAOUMG-QWAKEFERSA-N
Data: 2 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) | BDBM50124028 ((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | 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 Compound tested for inhibition of porcine calpain I | Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50124028 ((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 70 | 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 Compound tested for inhibition of human liver cathepsin B | Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V | |||||||||||
More data for this Ligand-Target Pair |