BDBM9190 (2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-{[4-(2-hydroxyethoxy)phenyl]methyl}pentanamide::pyrrolidinone based inhibitor 1h
SMILES: OCCOc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
InChI Key: InChIKey=MHCHGIAKQSWTJL-SELSBJTMSA-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) | BDBM9190 ((2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0200 | -14.6 | 94 | n/a | n/a | n/a | n/a | 6.4 | 25 |
GlaxoSmithKline | 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 15: 81-4 (2005) Article DOI: 10.1016/j.bmcl.2004.10.029 BindingDB Entry DOI: 10.7270/Q29G5K1M | |||||||||||
More data for this Ligand-Target Pair |