BDBM50076630 (8R,8aS,10aS)-2-Fluoro-8-methoxy-9-oxo-5,10a-dihydro-8H,9H-xanthene-8a-carbonitrile::CHEMBL174650
SMILES: CO[C@@H]1C=CC[C@@H]2Oc3ccc(F)cc3C(=O)[C@]12C#N
InChI Key: InChIKey=UOCCMGUGMXIMIO-VNHYZAJKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterases (Homo sapiens (Human)) | BDBM50076630 ((8R,8aS,10aS)-2-Fluoro-8-methoxy-9-oxo-5,10a-dihyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description In vitro inhibitory activity against Butyrylcholinesterase | Bioorg Med Chem Lett 9: 973-8 (1999) BindingDB Entry DOI: 10.7270/Q22V2F91 | |||||||||||
More data for this Ligand-Target Pair |