null

SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C

InChI Key InChIKey=ZPUCINDJVBIVPJ-LJISPDSOSA-N

PDB links: 7 PDB IDs match this monomer.

  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 16 hits for monomerid = 22418   

TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  108nMAssay Description:Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28P6114PubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  108nMAssay Description:Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortexMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20K294RPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  108nMAssay Description:ability to displace [3H]- Mazindol binding to cocaine binding sites on Dopamine transporter of rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CZ37PPPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  108nMAssay Description:Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital regionMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26110WVPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  186nMAssay Description:Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2MG7Q0CPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  190nMAssay Description:Inhibition of [3H]DA uptake at Dopamine transporter in rat cortex.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24M952FPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  1.90E+3nMAssay Description:Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474BCVPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T3JPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  3.30E+3nMAssay Description:Displacement of [3H]-nisoxatine from norepinephrine transporter of rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76D43PubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61KQ3
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.52E+3nMAssay Description:Binding affinity was evaluated by measuring inhibiting the binding of [3H]nisoxetine to Norepinephrine transporter in rat brain tissueMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WH2QH1PubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T3JPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22Z162NPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474BCVPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.53E+3nMAssay Description:Inhibition of binding of [3H]nisoxetine to (NET) norepinephrine transporter in rat striatumMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J38T3XPubMed
TargetTransporter(Rattus norvegicus)
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 3.83E+3nMAssay Description:Inhibition of [3H]mazindol binding to Norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2736RJCPubMed