BDBM519 (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::CHEMBL114::Fortovase::Invirase::Ro 31-8959::SQV::Saquinavir
SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C
InChI Key InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 1 hit for monomerid = 519
TargetDimer of Gag-Pol polyprotein [489-587,Q496K,I573V](Human immunodeficiency virus type 1)
The Johns Hopkins University
The Johns Hopkins University
Affinity DataKi: 2nM ΔG°: -11.9kcal/molepH: 5.0 T: 2°CAssay Description:Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 519
ITC DataΔG°: -12.0kcal/mole −TΔS°: -18.0kcal/mole ΔH°: 5.99kcal/mole logk: 6.25E+8
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C