BDBM518 (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide::AG-1343::CHEMBL584::Nelfinavir::Viracept
SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)c1cccc(O)c1C)[C@@H](C2)C(=O)NC(C)(C)C
InChI Key InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 1 hit for monomerid = 518
TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
The Johns Hopkins University
The Johns Hopkins University
Affinity DataKi: 0.254nM ΔG°: -13.1kcal/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 3 hits for monomerid = 518
ITC DataΔG°: -11.4kcal/mole −TΔS°: -14.2kcal/mole ΔH°: 2.80kcal/mole
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
ITC DataΔG°: -13.1kcal/mole −TΔS°: -15.7kcal/mole ΔH°: 2.60kcal/mole logk: 3.85E+9
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
ITC DataΔG°: -12.8kcal/mole −TΔS°: -15.9kcal/mole ΔH°: 3.09kcal/mole logk: 2.20E+9
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C