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
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 22418   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  229nMAssay 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
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  657nMAssay Description:Inhibition of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
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(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))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
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 noradrenaline transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  2.41E+3nMAssay Description:Binding affinity towards non-selective opiate receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataKi:  1.07E+4nMAssay Description:Inhibition of [3H]mazindol binding to recombinant human NET 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 serotonin transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  277nMAssay Description:Inhibition of recombinant human SERT expressed in HEK293 cell membranes assessed as reduction in [3H]5-HT uptake incubated for 22 mins by micro beta ...More data for this Ligand-Target Pair
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 DataIC50:  200nMAssay Description:Inhibition of mouse DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  221nMAssay Description:Binding affinity towards non-selective opiate receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Affinity DataIC50:  274nMAssay Description:Inhibition of recombinant human DAT expressed in HEK293 cell membranes assessed as reduction in [3H]-DA uptake incubated for 22 mins by micro beta sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank