BDBM50085428 (3S,3aS,4aS,5S,8R,8aS,9aR)-8-((E)-2,4-Dimethyl-oct-2-enoyloxy)-9a-hydroxy-3,4a-dimethyl-dodecahydro-naphtho[2,3-b]furan-5-carboxylic acid::CHEMBL80488
SMILES: CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@H]3[C@H](C)CO[C@]3(O)C[C@H]12
InChI Key: InChIKey=QPSWVYBJANGZBF-AXHDJRLXSA-N
Data: 1 IC50
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 integrase (Human immunodeficiency virus 1) | BDBM50085428 ((3S,3aS,4aS,5S,8R,8aS,9aR)-8-((E)-2,4-Dimethyl-oct...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 integrase | Bioorg Med Chem Lett 10: 235-8 (2000) BindingDB Entry DOI: 10.7270/Q2GB237J | |||||||||||
More data for this Ligand-Target Pair |