BDBM36022 (+/-)-octopamine::Octopamine,(+/-)

SMILES [NH3+]CC(O)c1ccc(O)cc1

InChI Key InChIKey=QHGUCRYDKWKLMG-UHFFFAOYSA-O

Data  4 KI  1 EC50  4 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 5 hits for monomerid = 36022   

Target5-hydroxytryptamine receptor 3A(Human)
Howard Hughes Medical Institute

Curated by ChEMBL
LigandPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
Affinity DataEC50:  24nMAssay Description:Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database
LigandPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database
LigandPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details
PubMed
LigandPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
Affinity DataKi:  1.56E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
LigandPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
Affinity DataKi:  1.10E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 36022   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
ITC DataΔG°: -1.49kcal/mole −TΔS°: 5.21kcal/mole ΔH°: -6.71kcal/mole logk: 12
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
ITC DataΔG°: -1.30kcal/mole −TΔS°: 4.21kcal/mole ΔH°: -5.52kcal/mole logk: 8.91
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(betadex | beta-cyclodextrin)
Nist

GuestPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
ITC DataΔG°: -2.35kcal/mole −TΔS°: 0.911kcal/mole ΔH°: -3.27kcal/mole logk: 52.5
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(betadex | beta-cyclodextrin)
Nist

GuestPNGBDBM36022(Octopamine,(+/-) | (+/-)-octopamine)
ITC DataΔG°: -2.25kcal/mole −TΔS°: 1.55kcal/mole ΔH°: -3.79kcal/mole logk: 44.7
pH: 5.0 T: 24.85°C 
In DepthDetails