BDBM9278 (3S,3aR,7aS)-hexahydro-2H-furo[2,3-b]pyran-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]carbamate::(hydroxyethylamino)sulfonamide deriv. 16
SMILES: [H][C@]1(CO[C@]2([H])OCCC[C@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1
InChI Key: InChIKey=LDJWKKOBSVJUAX-QLHPUIKHSA-N
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) | BDBM9278 ((3S,3aR,7aS)-hexahydro-2H-furo[2,3-b]pyran-3-yl N-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2.20 | -11.8 | n/a | n/a | n/a | n/a | n/a | 6.4 | 25 |
University of Illinois at Chicago | Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f... | Bioorg Med Chem Lett 8: 687-90 (1998) Article DOI: 10.1016/s0960-894x(98)00098-5 BindingDB Entry DOI: 10.7270/Q2J101DQ | |||||||||||
More data for this Ligand-Target Pair |