BDBM50037826 (2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid [3-((2S,4R)-4-tert-butoxy-2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-hydroxy-propyl]-amide::CHEMBL122261
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@H](CN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)OC(C)(C)C
InChI Key: InChIKey=JWSUBFSSCJHLQP-QXKHLZOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50037826 ((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.60E+3 | 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 |