BDBM50281637 (2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(S)-3-methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-butyrylamino}-hexanoic acid {(S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide::CHEMBL167442
SMILES: CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(C)C)C(=O)NCc1ccccn1
InChI Key: InChIKey=YOBDTQSJPAKRLC-GHEOVQOASA-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) | BDBM50281637 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 61 | 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 |