BDBM22418 Cocaine::Cocaine (-)::methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate::methyl (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate

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

InChI Key InChIKey=ZPUCINDJVBIVPJ-LJISPDSOSA-N

Data  93 KI  60 IC50  6 EC50

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 5 hits for monomerid = 22418   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  95nMAssay Description:Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporterMore data for this Ligand-Target Pair
TargetTransporter(Rattus norvegicus)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
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 ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  1.05E+3nMAssay Description:Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporterMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  89nMAssay Description:Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rattus norvegicus)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed