BDBM50048392 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one::BUPROPION::BUPROPION HYDROCHLORIDE::CHEMBL894::US9944618, Compound ID No. 176

SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1

InChI Key InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-N

Data  66 KI  47 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 7 hits for monomerid = 50048392   

TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  1.80E+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
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  1.85E+3nMAssay 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 ArticlePubMedDrugBank

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

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  660nMAssay 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 ArticlePubMedDrugBank

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  1.20E+4nMAssay 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
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  1.20E+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
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  7.90E+3nMAssay 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
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Barrow Neurological Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
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