BDBM50135535 3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-dihydro-isobenzofuran-5-ylamino)-3-m-tolyl-propionylamino]-ethoxymethyl}-benzoic acid::CHEMBL131732
SMILES: Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
InChI Key: InChIKey=DJLOPBNMNYCRDV-SQHAQQRYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM50135535 (3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute of Biomedical Research Curated by ChEMBL | Assay Description Inhibtitory activity against cathepsin L (catL) | Bioorg Med Chem Lett 13: 4121-4 (2003) BindingDB Entry DOI: 10.7270/Q2BC3XZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50135535 (3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute of Biomedical Research Curated by ChEMBL | Assay Description Inhibtitory activity against cathepsin S (catS) | Bioorg Med Chem Lett 13: 4121-4 (2003) BindingDB Entry DOI: 10.7270/Q2BC3XZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50135535 (3-{(R)-2-Cyano-2-[(S)-2-(1,1-dimethyl-3-oxo-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute of Biomedical Research Curated by ChEMBL | Assay Description Inhibtitory activity against cathepsin B (catB) | Bioorg Med Chem Lett 13: 4121-4 (2003) BindingDB Entry DOI: 10.7270/Q2BC3XZC | |||||||||||
More data for this Ligand-Target Pair |