BDBM235779 US9359372, DC037032

SMILES COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12

InChI Key InChIKey=ITCUCWQVCFTWPK-UHFFFAOYSA-N

Data  2 KI  2 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 2 hits for monomerid = 235779   

TargetD(1A) dopamine receptor(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM235779(US9359372, DC037032)
Affinity DataKi:  25.3nM ΔG°:  -10.5kcal/mole IC50: 49.2nMT: 2°CAssay Description:Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2017
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 1A(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM235779(US9359372, DC037032)
Affinity DataKi:  40.6nM ΔG°:  -10.2kcal/mole IC50: 51.5nMT: 2°CAssay Description:Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2017
Entry Details
Go to US Patent