BDBM50288192 CHEMBL83186::N-[2-Hydroxy-2-((S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide
SMILES: CC(C)CCN(C[C@@H](O)[C@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
InChI Key: InChIKey=HOUHLOFMBSYNBO-UODIDJSMSA-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) | BDBM50288192 (CHEMBL83186 | N-[2-Hydroxy-2-((S)-8-isopropyl-6,9-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease. | Bioorg Med Chem Lett 6: 2531-2536 (1996) Article DOI: 10.1016/0960-894X(96)00468-4 BindingDB Entry DOI: 10.7270/Q2S1830C | |||||||||||
More data for this Ligand-Target Pair |