BDBM50387566 CHEMBL2057441::US9359372, DC037075

SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1

InChI Key InChIKey=JVNZVNCHIUVRJV-SFHVURJKSA-N

Data  3 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 4 hits for monomerid = 50387566   

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

US Patent
LigandPNGBDBM50387566(CHEMBL2057441 | US9359372, DC037075)
Affinity DataKi:  64.1nM ΔG°:  -9.97kcal/mole IC50:  114nMT: 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 DepthDetails US Patent
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50387566(CHEMBL2057441 | US9359372, DC037075)
Affinity DataKi:  106nMAssay Description:Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50387566(CHEMBL2057441 | US9359372, DC037075)
Affinity DataKi:  730nM ΔG°:  -8.51kcal/mole IC50:  922nMT: 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 DepthDetails US Patent
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50387566(CHEMBL2057441 | US9359372, DC037075)
Affinity DataIC50:  189nMAssay Description:Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed