BDBM795 (2R)-2-[(7S,10S,13S)-7-amino-8,11-dioxo-10-(propan-2-yl)-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]-N-(4-aminophenyl)-2-hydroxy-N-(3-methylbutyl)ethane-1-sulfonamido::Macrocycle-containing Compound 9a
SMILES: CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1
InChI Key: InChIKey=ZYGJIVAYVQHQAD-ZXYZSCNASA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM795 ((2R)-2-[(7S,10S,13S)-7-amino-8,11-dioxo-10-(propan...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.900 | -12.8 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland | Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the... | J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ | |||||||||||
More data for this Ligand-Target Pair |