BDBM50037842 4N-(tert-butyl)-3-{3-[2-benzylcarbamoyl(benzylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolan-4-ylcarboxamido]-2-hydroxypropyl}-5,5-dimethyl-(4R)-1,3-thiazolane-4-carboxamide::CHEMBL122402
SMILES: CC(C)(C)NC(=O)[C@H]1N(CC(O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)CSC1(C)C
InChI Key: InChIKey=OCKSKYXTONTLTR-LCEWDEQFSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50037842 (4N-(tert-butyl)-3-{3-[2-benzylcarbamoyl(benzylcarb...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Limited Curated by ChEMBL | Assay Description In vitro inhibitory activity against HIV proteinase | J Med Chem 37: 3707-16 (1994) BindingDB Entry DOI: 10.7270/Q2V40T88 | |||||||||||
More data for this Ligand-Target Pair |