BDBM393 (3R)-3,6-dihydro-2H-pyran-3-yl N-[(2S,3R)-4-[(4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Urethane deriv. 12
SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1COCC=C1)C(C2)C(=O)NC(C)(C)C
InChI Key: InChIKey=LYPBPTICLJCIAA-QAFQPKEQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM393 ((3R)-3,6-dihydro-2H-pyran-3-yl N-[(2S,3R)-4-[(4aS,...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48.9 | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Research Laboratories | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | J Med Chem 36: 292-4 (1993) Article DOI: 10.1021/jm00054a015 BindingDB Entry DOI: 10.7270/Q25D8Q1G | |||||||||||
More data for this Ligand-Target Pair |