BDBM50284984 (R)-3-Methyl-N-[(S)-1-((2R,3S)-3-{[(S)-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-methyl}-oxiranyl)-2-phenyl-ethyl]-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide::CHEMBL53328
SMILES: CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1ccccn1)C(C)C
InChI Key: InChIKey=YSZBISOEHYFUEY-IJLINHMISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50284984 ((R)-3-Methyl-N-[(S)-1-((2R,3S)-3-{[(S)-3-methyl-2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for the inhibition activity against HIV-1 protease | Bioorg Med Chem Lett 5: 1843-1848 (1995) Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J | |||||||||||
More data for this Ligand-Target Pair |