BDBM36187 1-methylhexylamine::Tuaminoheptane

SMILES CCCCCC(C)[NH3+]

InChI Key InChIKey=VSRBKQFNFZQRBM-UHFFFAOYSA-O

Data  2 KI  1 IC50  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 3 hits for monomerid = 36187   

TargetMu-type opioid receptor(Human)
Torrey Pines Institute For Molecular Studies

Curated by ChEMBL
LigandPNGBDBM36187(Tuaminoheptane | 1-methylhexylamine)
Affinity DataIC50: 14nMAssay Description:Antagonistic activity towards Opioid receptor mu 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2012
Entry Details Article
PubMed
LigandPNGBDBM36187(Tuaminoheptane | 1-methylhexylamine)
Affinity DataKi:  7.10E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
LigandPNGBDBM36187(Tuaminoheptane | 1-methylhexylamine)
Affinity DataKi:  6.80E+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 2 hits for monomerid = 36187   

HostPNGBDBM11(betadex | beta-cyclodextrin)
Nist

GuestPNGBDBM36187(Tuaminoheptane | 1-methylhexylamine)
ITC DataΔG°: -2.56kcal/mole −TΔS°: -3.03kcal/mole ΔH°: 0.468kcal/mole logk: 76
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36187(Tuaminoheptane | 1-methylhexylamine)
ITC DataΔG°: -3.60kcal/mole −TΔS°: 0.677kcal/mole ΔH°: -4.28kcal/mole logk: 439
pH: 6.9 T: 25.00°C 
In DepthDetails Article