BDBM50281643 (2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid {(1S,2S)-2-methyl-1-[(1-oxy-pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide::CHEMBL166052
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-]
InChI Key: InChIKey=YBIUJOVPCQRKKW-KKASSDGMSA-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) | BDBM50281643 ((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL 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 Evaluated for inhibitory activity against HIV-1 protease | Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ | |||||||||||
More data for this Ligand-Target Pair |