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 30 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
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q28P6114PubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  155nMAssay Description:Displacement of [3H]5-HT from serotonin transporter of rat brainMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  155nMAssay Description:Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brainMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  155nMAssay Description:Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrianMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  160nMAssay Description:Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporterMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  160nMAssay Description:Compound was tested for its ability to inhibit high affinity uptake of [3H]5-HT into mid brain nerve endings (synaptosomes) in ratMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  160nMAssay Description:Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brainMore data for this Ligand-Target Pair
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
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2RB754DPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2MG7Q0CPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q28P6114PubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  259nMAssay Description:Inhibition of [3H]DA reuptake at dopamine transporter in rat striatumMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20K294RPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  270nMAssay 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
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2CZ37PPPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2KS6S3ZPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  301nMAssay 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
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2KS6S3ZPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  413nMAssay Description:Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2CZ37PPPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  420nMAssay Description:Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RB754DPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q26110WVPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 413nMAssay Description:The compound was tested for inhibition of [3H]-5-hydroxy tryptamine uptake in HEK cells by expressing cDNA for human tryptamine transporterMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 301nMAssay Description:Inhibition of [3H]dopamine uptake in HEK cells expressing human Dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29S1RKFPubMedDrugBank
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 186nMAssay Description:The compound was tested for inhibition of [3H]norepinephrine uptake in HEK cells by expressing cDNA for human norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29S1RKFPubMedDrugBank
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataIC50: 297nMAssay Description:Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 100 nM with cocaineMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24M952FPubMed