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
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q25D8Q4TPubMedDrugBank
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  276nM ΔG°:  -8.85kcal/mole EC50:  416nMpH: 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
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2MK6B7MPubMedDrugBank
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  601nM EC50:  318nMAssay 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
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  830nM EC50:  385nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q25D8Q4TPubMedDrugBank
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM22418(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)copy SMILEScopy InChI
Affinity DataKi:  1.12E+3nM EC50:  835nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2MK6B7MPubMedDrugBank