BDBM50137392 CHEMBL99195::[(S)-1-((S)-1-Formyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester::[1-(1-Formyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
InChI Key: InChIKey=RXCRNUBYZRKEGC-IRXDYDNUSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM50137392 (CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibitory activity against recombinant human cathepsin L | Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50137392 (CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibitory activity of the compound against recombinant human cathepsin L (1.2 nM) | Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50137392 (CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 33 | 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 |