BDBM50030823 CHEMBL3342553
SMILES: CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1
InChI Key: InChIKey=NDEBZCZEAVMSQF-GOTSBHOMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Mus musculus (Mouse)) | BDBM50030823![]() (CHEMBL3342553) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay | ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50030823![]() (CHEMBL3342553) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay | ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |