BDBM36014 (1R,2S)-(-)-ephedrine::Ephedrine,(+)::Ephedrine,(+/-)::Ephedrine,(-)::Pseudoephedrine,(+/-)

SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1

InChI Key InChIKey=KWGRBVOPPLSCSI-WPRPVWTQSA-O

Data  6 KI  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 6 hits for monomerid = 36014   

LigandPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Affinity DataKi:  225nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Nih

Curated by PDSP Ki Database
LigandPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Affinity DataKi:  4.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Nih

Curated by PDSP Ki Database
LigandPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 36014   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
ITC DataΔG°: -2.59kcal/mole −TΔS°: -0.263kcal/mole ΔH°: -2.32kcal/mole logk: 79
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
ITC DataΔG°: -2.42kcal/mole −TΔS°: -0.192kcal/mole ΔH°: -2.22kcal/mole logk: 58.9
pH: 5.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
ITC DataΔG°: -1.68kcal/mole −TΔS°: 2.06kcal/mole ΔH°: -3.73kcal/mole logk: 17
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

GuestPNGBDBM36014((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
ITC DataΔG°: -1.46kcal/mole −TΔS°: 1.42kcal/mole ΔH°: -2.87kcal/mole logk: 12
pH: 5.0 T: 24.85°C 
In DepthDetails