BDBM50037818 2-(3-{[5,5-Dimethyl-2-({2-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethylcarbamoyl}-phenylacetylamino-methyl)-thiazolidine-4-carbonyl]-amino}-2-hydroxy-propyl)-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL333043
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChI Key: InChIKey=COHUVUQDQJRZJH-NNYGVCROSA-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) | BDBM50037818 (2-(3-{[5,5-Dimethyl-2-({2-[5-(2-oxo-hexahydro-thie...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 120 | 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 |