BDBM50065899 (2S,3S)-2-Benzyl-3-methylsulfanyl-4-oxo-azetidine-1-carboxylic acid (pyridin-4-ylmethyl)-amide::CHEMBL95260
SMILES: CS[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
InChI Key: InChIKey=QKWOVFQEKXZOQF-HOTGVXAUSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50065899 ((2S,3S)-2-Benzyl-3-methylsulfanyl-4-oxo-azetidine-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Compound was tested for its activity against bovine pancreatic Alpha-chymotrypsin (BPC) | J Med Chem 41: 2882-91 (1998) Article DOI: 10.1021/jm980131z BindingDB Entry DOI: 10.7270/Q2X63M2J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50065899 ((2S,3S)-2-Benzyl-3-methylsulfanyl-4-oxo-azetidine-...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against human cytomegalovirus (HCMV) protease | J Med Chem 41: 2882-91 (1998) Article DOI: 10.1021/jm980131z BindingDB Entry DOI: 10.7270/Q2X63M2J | |||||||||||
More data for this Ligand-Target Pair |