BDBM50387556 CHEMBL2057438::US9359372, DC037077

SMILES COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO

InChI Key InChIKey=WQKIFVVNHWIOKA-KRWDZBQOSA-N

Data  4 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 5 hits for monomerid = 50387556   

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

US Patent
LigandPNGBDBM50387556(CHEMBL2057438 | US9359372, DC037077)
Affinity DataKi:  182nM ΔG°:  -9.34kcal/mole IC50:  324nMT: 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
LigandPNGBDBM50387556(CHEMBL2057438 | US9359372, DC037077)
Affinity DataKi:  182nMAssay 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
LigandPNGBDBM50387556(CHEMBL2057438 | US9359372, DC037077)
Affinity DataKi:  600nM ΔG°:  -8.62kcal/mole IC50:  758nMT: 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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50387556(CHEMBL2057438 | US9359372, DC037077)
Affinity DataKi:  600nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM50387556(CHEMBL2057438 | US9359372, DC037077)
Affinity DataIC50:  324nMAssay Description:Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed