BDBM16505 BzlNH-tES-Ile-Pro-OBzl::CA inhibitor 8::CA077::benzyl (2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]formamido}-3-methylpentanoyl]pyrrolidine-2-carboxylate::benzyl N-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate::epoxysuccinyl derivative 8
SMILES: [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCc1ccccc1
InChI Key: InChIKey=NFVQITLYIOBLMG-WIGBTLJFSA-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 B (Bos taurus (bovine)) | BDBM16505 (BzlNH-tES-Ile-Pro-OBzl | CA inhibitor 8 | CA077 | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | 6.0 | 40 |
Osaka University of Pharmaceutical Sciences | Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor... | J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |