BDBM50320059 CHEMBL1085981::methyl 2-(4-(benzyloxy)-3-((2S)-3-cyclohexyl-2-(5-methyl-2-oxo-6-pentyl-5,6-dihydro-2H-pyran-3-carboxamido)propanamido)-2-oxobutanamido)acetate
SMILES: CCCCCC1OC(=O)C(=CC1C)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(COCc1ccccc1)C(=O)C(=O)NCC(=O)OC
InChI Key: InChIKey=BWKIVUQLJBPTNN-ZGJYJMBDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50320059 (CHEMBL1085981 | methyl 2-(4-(benzyloxy)-3-((2S)-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 42.3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay | J Med Chem 53: 4545-9 (2010) Article DOI: 10.1021/jm100089e BindingDB Entry DOI: 10.7270/Q2TX3FJ2 | |||||||||||
More data for this Ligand-Target Pair |