BDBM166322 US9067949, 179::US9067949, 181::US9067949, 182

SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(c1)C1CCOC1

InChI Key InChIKey=DAIHEJAXZODYPU-UHFFFAOYSA-N

Data  3 KI

  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 = 166322   

Target5-hydroxytryptamine receptor 6(Human)
Albany Molecular Research

US Patent
LigandPNGBDBM166322(US9067949, 181 | US9067949, 182 | US9067949, 179)
Affinity DataKi:  0.360nM ΔG°:  -12.9kcal/molepH: 7.5 T: 2°CAssay Description:For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2016
Entry Details
US Patent

Target5-hydroxytryptamine receptor 6(Human)
Albany Molecular Research

US Patent
LigandPNGBDBM166322(US9067949, 181 | US9067949, 182 | US9067949, 179)
Affinity DataKi:  0.410nM ΔG°:  -12.8kcal/molepH: 7.5 T: 2°CAssay Description:For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2016
Entry Details
US Patent

Target5-hydroxytryptamine receptor 6(Human)
Albany Molecular Research

US Patent
LigandPNGBDBM166322(US9067949, 181 | US9067949, 182 | US9067949, 179)
Affinity DataKi:  0.490nM ΔG°:  -12.7kcal/molepH: 7.5 T: 2°CAssay Description:For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2016
Entry Details
US Patent