BDBM50142990 CHEMBL288836::N-[(R)-2-Hydroxy-2-((9S,12S)-9-isopropyl-7,10-dioxo-2-oxa-8,11-diaza-bicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-yl)-ethyl]-N-(3-methyl-butyl)-benzenesulfonamide
SMILES: CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
InChI Key: InChIKey=FMROKUKFSAXFKK-LXQNXJGFSA-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) | BDBM50142990 (CHEMBL288836 | N-[(R)-2-Hydroxy-2-((9S,12S)-9-isop...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay | J Med Chem 47: 1641-51 (2004) Article DOI: 10.1021/jm030337m BindingDB Entry DOI: 10.7270/Q2JD4XJK | |||||||||||
More data for this Ligand-Target Pair |