BDBM50072545 6-{3-((1S,2S)-1-Benzyl-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl)-4-[3-(3,4,5-trimethoxy-phenyl)-propionyl]-piperazin-1-yl}-6-oxo-hexanoic acid ethyl ester::CHEMBL324234
SMILES: CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C1CN(CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1)C(=O)CCCCC(=O)OCC
InChI Key: InChIKey=WPUFKHZZOQZYIE-GFMLHKOCSA-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)) | BDBM50072545 (6-{3-((1S,2S)-1-Benzyl-3-butylcarbamoyl-2-hydroxy-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against cathepsin D | Bioorg Med Chem Lett 8: 3203-6 (1999) BindingDB Entry DOI: 10.7270/Q2D21WSG | |||||||||||
More data for this Ligand-Target Pair |