BDBM31812 methyl-2-pyrrolidinone, 17a
SMILES: [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1
InChI Key: InChIKey=OAEDFAFOKARQII-MMXSNJQQSA-N
Data: 1 KI
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) | BDBM31812 (methyl-2-pyrrolidinone, 17a) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.850 | -12.4 | n/a | n/a | n/a | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 52: 3902-14 (2009) Article DOI: 10.1021/jm900303m BindingDB Entry DOI: 10.7270/Q20G3HHH | |||||||||||
More data for this Ligand-Target Pair |