BDBM50322529 (2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol::CHEMBL1173275

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

InChI Key InChIKey=NNTJAYKRPQPBCZ-TVQRCGJNSA-N

Data  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50322529   

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

Curated by ChEMBL
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  740nMAssay 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-3/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  1.50E+4nMAssay 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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50: >1.00E+5nMAssay 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-2(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  1.30E+3nMAssay 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
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  5.50E+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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  61nMAssay 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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  32nMAssay 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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  4.60E+3nMAssay 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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  5.60E+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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  2.30E+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
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Affinity DataIC50:  1.38E+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