BDBM50322528 (2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin-2-ol::CHEMBL1173276

SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1

InChI Key InChIKey=DHXSMGUKIICGAC-TVQRCGJNSA-N

Data  13 IC50

  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 13 hits for monomerid = 50322528   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  920nMAssay Description:Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  550nMAssay Description:Antagonist activity at alpha4beta2 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  1.80E+4nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  3.00E+4nMAssay Description:Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  3.20E+3nMAssay Description:Antagonist activity at alpha3beta4 nicotinic receptor in human SH-SY5Y cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  1.10E+4nMAssay Description:Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion effluxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  44nMAssay Description:Inhibition of human DAT in HEK293 cells assessed as inhibition of [3H]dopamine uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  150nMAssay Description:Inhibition of human NET in HEK293 cells assessed as inhibition of [3H]norepinephrine uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  390nMAssay Description:Inhibition of human SERT in HEK293 cells assessed as inhibition of [3H]serotonin uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  1.40E+3nMAssay Description:Antagonist activity at human alpha3beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion effluxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  1.20E+4nMAssay Description:Antagonist activity at human alpha4beta2 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion effluxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Affinity DataIC50:  3.34E+3nMAssay Description:Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed