null
SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C
InChI Key: InChIKey=HSGWMHCBWWNMPP-SRYSGFPJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM810 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 5.5 | 22 | |
Lilly Research Laboratories | Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep... | Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM810 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | |
Lilly Research Laboratories | Assay Description Inhibitory activity against HIV-1 protease | Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM810 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against HIV-1 protease | J Med Chem 46: 1764-8 (2003) Article DOI: 10.1021/jm020537i BindingDB Entry DOI: 10.7270/Q2805218 | |||||||||||
More data for this Ligand-Target Pair |