BDBM50322512 (2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-morpholin-2-ol::CHEMBL1173597

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

InChI Key InChIKey=ZWMHSADWUIOURG-ZFWWWQNUSA-N

Data  13 IC50

  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 13 hits for monomerid = 50322512   

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

Curated by ChEMBL
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  4.13E+3nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  31nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  4.80E+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-2(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  7.50E+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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  1.80E+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
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  1.00E+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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  8.00E+3nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  6nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  9nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  300nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  3.10E+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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  9.50E+3nMAssay 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
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Affinity DataIC50:  30nMAssay 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