BDBM16500 (2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]formamido}-3-methylpentanamido]-3-methylpentanoic acid::CA inhibitor 3::CA076::EtO-tES-Ile-Ile-OH::N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-isoleucine::epoxysuccinyl derivative 3
SMILES: [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O
InChI Key: InChIKey=CFABOFMUPCWOPC-GLCSKSKLSA-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 |
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Cathepsin B (Bos taurus (bovine)) | BDBM16500 ((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) | 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 | 24 | 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) |