BDBM234354 3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyrimido[1,2-c]pyrimidine (12)

SMILES C1CCc2c(C1)sc1N=CN3CCCN=C3c21

InChI Key InChIKey=GWTYEJYULKWVKZ-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 234354   

TargetAcetylcholinesterase(Electric eel)
University of Bonn

LigandPNGBDBM234354(3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyri...)
Affinity DataKi:  1.92E+3nM ΔG°:  -7.79kcal/mole IC50: 2.26E+3nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Bonn

LigandPNGBDBM234354(3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyri...)
Affinity DataIC50: 2.05E+4nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Bonn

LigandPNGBDBM234354(3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyri...)
Affinity DataIC50: 1.31E+5nMpH: 7.3 T: 2°CAssay Description:Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed