null

SMILES Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)C1=CC2OC(=O)NC2C=C1

InChI Key InChIKey=BXKXPJPYACCXTA-UHFFFAOYSA-N

  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 = 160608   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM160608(US9045468, 22)copy SMILEScopy InChI
Affinity DataIC50: 3.40nMpH: 7.5 T: 2°CAssay Description:Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24J0CV4US Patent
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM160608(US9045468, 22)copy SMILEScopy InChI
Affinity DataIC50: 806nMpH: 7.5 T: 2°CAssay Description:Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24J0CV4US Patent
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM160608(US9045468, 22)copy SMILEScopy InChI
Affinity DataIC50: 58.6nMpH: 7.9 T: 2°CAssay Description:Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24J0CV4US Patent