BDBM9225 (2R,4S)-2-benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::pyrrolidinone scaffold 8c
SMILES: [H][C@@]1(Cc2ccccc2)C[C@H](Cc2ccccc2)N(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C1=O
InChI Key: InChIKey=JMCYOVXEMFWTCO-JSFOLGEGSA-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) | BDBM9225 ((2R,4S)-2-benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxopyrr...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >0.5 | >-12.7 | n/a | 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 10: 1159-62 (2000) Article DOI: 10.1016/s0960-894x(00)00163-3 BindingDB Entry DOI: 10.7270/Q2X63K5G | |||||||||||
More data for this Ligand-Target Pair |