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:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 22418   

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  68.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  74nMAssay Description:Displacement of [3H]WIN-35428 from dopamine transporter of rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  102nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  104nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  146nMAssay Description:Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  150nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  160nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  187nMAssay Description:Displacement of [3H]WIN-35428 from dopamine transporter of rat caudate putamen tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  200nMAssay Description:Inhibition of DAT (unknown origin) expressed in COS7 cells assessed as reduction in [3H]DA uptake incubated for 5 mins by beta-scintillation counting...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  223nMAssay Description:Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  230nMAssay Description:Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  230nMAssay Description:Inhibition of [3H]- Mazindol binding to dopamine transporter of rat striatal membrane.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  240nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  259nMAssay Description:Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  259nMAssay Description:Inhibition of [3H]DA reuptake at dopamine transporter in rat striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  270nMAssay Description:Affinity to inhibit [3H]DA uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  270nMAssay Description:Inhibition of [3H]DA uptake at Dopamine transporter in rat cortex.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  272nM EC50:  267nMAssay Description:Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  272nMAssay Description:Compound was tested for inhibition of [125I]RTI-55 binding to Serotonin transporter in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  280nMAssay Description:Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  280nMAssay 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 ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  280nMAssay Description:Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  301nMAssay Description:Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  320nMAssay Description:Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  331nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  371nM ΔG°:  -8.68kcal/mole EC50:  303nMpH: 7.4 T: 2°CAssay Description:Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  419nMAssay Description:Inhibition of [3H]5-HT uptake in HEK cells expressing human SERTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  420nMAssay Description:Compound was tested for its ability to inhibit high affinity uptake of [3H]DA into rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  420nMAssay Description:Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  423nMAssay Description:Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  450nMAssay Description:Displacement of [3H]WIN 35428 from human DAT transiently expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  460nMAssay Description:Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  475nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  478nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  600nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  690nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  720nMAssay Description:Inhibition of [125I]RTI-55 binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  743nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSodium-dependent dopamine transporter(MOUSE)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  850nMAssay Description:Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  1.27E+3nMAssay Description:Inhibit of purified bovine Farnesyl protein transferase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  89nMAssay Description:Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA reuptake system using [3H]dopamine as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSodium-dependent dopamine transporter(Macaca fascicularis)
Organix

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  96nMAssay Description:Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  330nMAssay Description:Inhibition of [3H]dopamine uptake in HEK cells expressing human DATMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  266nMAssay Description:Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  511nMAssay Description:Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat striatal synaptic membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  89nMAssay Description:Inhibition of [3H]WIN-35428 binding at dopamine transporter was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  1.58E+4nMAssay Description:Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  1.58E+4nMAssay Description:Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  89nMAssay Description:Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  102nMAssay Description:Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed