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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50048392   

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  658nMAssay Description:Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  1.85E+3nMAssay Description:Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50: >100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Affinity DataIC50:  12nMAssay Description:Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed