BDBM50025511 CHEMBL164716::CHEMBL86225::{1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-ethyl}-3-methyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
InChI Key: InChIKey=GQYQVRLKCQSBAG-XULWKCEQSA-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 (Bos taurus) | BDBM50025511 (CHEMBL164716 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of cathepsin D. | J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N | |||||||||||
More data for this Ligand-Target Pair |