BDBM50183757 (2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)pyrrolidine-5-carbonyl)aziridine-2,3-dicarboxylate::CHEMBL382388
SMILES: CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChI Key: InChIKey=XFYWHOCFLQPKMK-UNFRKHOWSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cruzipain (Trypanosoma cruzi) | BDBM50183757 ((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by fluorometric assay | Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50183757 ((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wuerzburg Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain | Bioorg Med Chem Lett 16: 2753-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.026 BindingDB Entry DOI: 10.7270/Q2PK0FRX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50183757 ((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay | Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50183757 ((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL | Assay Description Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay | Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Falcipain 2 (Plasmodium falciparum) | BDBM50183757 ((2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay | Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS | |||||||||||
More data for this Ligand-Target Pair |