BDBM9205 (2R,4S)-2-benzyl-5-[(5S)-5-benzyl-3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::2-imidazolidinone scaffold 21
SMILES: COc1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1
InChI Key: InChIKey=VRSCWHRYULSOAD-PHPRYWTDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM9205 ((2R,4S)-2-benzyl-5-[(5S)-5-benzyl-3-[(4-methoxyphe...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.60 | -11.2 | 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 14: 5685-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.038 BindingDB Entry DOI: 10.7270/Q25Q4T9W | |||||||||||
More data for this Ligand-Target Pair |