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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22418   

TargetTransporter(Rattus norvegicus)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  3.83E+3nMAssay Description:Inhibition of [3H]mazindol binding to Norepinephrine 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:  1.06E+3nMAssay Description:Inhibition of [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:  102nMAssay Description:Inhibition of [3H]WIN-35428l binding to Dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed