BDBM50091035 2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-methoxytyramine)::3-O-methyldopamine

SMILES COc1cc(CC[NH3+])ccc1O

InChI Key InChIKey=DIVQKHQLANKJQO-UHFFFAOYSA-O

Data  4 Kd  2 ITC

  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 = 50091035   

TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University Of Texas

Curated by ChEMBL
LigandPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
Affinity DataKd:  2.51E+5nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University Of Texas

Curated by ChEMBL
LigandPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
Affinity DataKd:  2.25E+5nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University Of Texas

Curated by ChEMBL
LigandPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
Affinity DataKd:  9.40E+4nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University Of Texas

Curated by ChEMBL
LigandPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
Affinity DataKd:  8.80E+4nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50091035   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
ITC DataΔG°: -1.41kcal/mole −TΔS°: -0.0712kcal/mole ΔH°: -1.36kcal/mole logk: 11
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM50091035(2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-me...)
ITC DataΔG°: -0.860kcal/mole −TΔS°: 2.34kcal/mole ΔH°: -3.20kcal/mole logk: 4.27
pH: 5.0 T: 24.85°C 
In DepthDetails