BDBM50110933 CHEMBL30571::N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(dioxo-1,3-dihydro-isoindol-2-yl)-N-{(1R,3S)-2-hydroxy-4-phenyl-3-[2-(2,4,5-trichloro-phenoxy)-acetylamino]-butyl}-propionamide
SMILES: O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChI Key: InChIKey=HABZUAPTWCYNDV-IOWSJCHKSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM50110933![]() (CHEMBL30571 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory activity of compound against human Cathepsin D | J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH | |||||||||||
More data for this Ligand-Target Pair |