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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076630   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cholinesterases


(Homo sapiens (Human))
BDBM50076630
PNG
((8R,8aS,10aS)-2-Fluoro-8-methoxy-9-oxo-5,10a-dihyd...)
Show SMILES CO[C@@H]1C=CC[C@@H]2Oc3ccc(F)cc3C(=O)[C@]12C#N
Show InChI InChI=1S/C15H12FNO3/c1-19-12-3-2-4-13-15(12,8-17)14(18)10-7-9(16)5-6-11(10)20-13/h2-3,5-7,12-13H,4H2,1H3/t12-,13+,15-/m1/s1
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Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 9: 973-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00115-8
BindingDB Entry DOI: 10.7270/Q22V2F91
More data for this
Ligand-Target Pair