bupropion [Ligand Id: 7135] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL894 (Bupropion)
  • nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor δ subunit/Acetylcholine receptor; alpha1/beta1/delta/gamma in Human [ChEMBL: CHEMBL1907588] [GtoPdb: 462475471476] [UniProtKB: P02708P07510P11230Q07001]
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  • integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 in Human [ChEMBL: CHEMBL3885595] [GtoPdb: 2444472474464] [UniProtKB: P08648P17787P30926P32297]
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  • nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Human [ChEMBL: CHEMBL2109234] [GtoPdb: 472464] [UniProtKB: P17787P32297]
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  • nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
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  • nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human [ChEMBL: CHEMBL1907589] [GtoPdb: 472465] [UniProtKB: P17787P43681]
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  • nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Human [ChEMBL: CHEMBL1907591] [GtoPdb: 474465] [UniProtKB: P30926P43681]
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  • nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor δ subunit/Acetylcholine receptor; alpha1/beta1/delta/gamma in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907588] [GtoPdb: 462475471476] [UniProtKB: P02708P07510P11230Q07001]
ChEMBL Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting F 5.1 pIC50 7900 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Antagonist activity against human muscle-type alpha1beta1gammadelta nAChR in TE671/RD cells assessed as inhibition of carbamylcholine induced 86Rb+ efflux F 5.1 pIC50 7900 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
ChEMBL Antagonist activity at alpha-1-beta-1-gamma-delta nAChR receptor expressed in human TE671/RD cells assessed as inhibition of carbamylcholine-induced 86Rb+ efflux by liquid scintillation counting F 8.1 pIC50 7.9 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]
CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261]
ChEMBL DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 5.7 pIC50 1998.3 nM IC50 DrugMatrix in vitro pharmacology data
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells B 6.06 pKi 871 nM Ki J. Med. Chem. (2009) 52: 6768-6781 [PMID:19821577]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 6.09 pKi 821.4 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Displacement of [3H]WIN-35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting B 6.36 pKi 441 nM Ki Bioorg. Med. Chem. (2009) 17: 3770-3774 [PMID:19442525]
ChEMBL Inhibition of dopamine (DA) reuptake using cloned human dopamine transporter was determined B 5.54 pIC50 2900 nM IC50 J. Med. Chem. (2003) 46: 1775-1794 [PMID:12723940]
ChEMBL Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting B 5.8 pIC50 1567 nM IC50 Bioorg. Med. Chem. (2009) 17: 3770-3774 [PMID:19442525]
ChEMBL Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by liquid scintillation counting method B 5.92 pIC50 1200 nM IC50 Bioorg Med Chem (2016) 24: 5546-5555 [PMID:27647372]
ChEMBL Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method B 5.92 pIC50 1200 nM IC50 Bioorg Med Chem (2017) 25: 2266-2276 [PMID:28274674]
ChEMBL Inhibition of re-uptake of [3H]-DA at human DAT expressed in HEK293 cells by liquid scintillation counting B 5.92 pIC50 1200 nM IC50 Bioorg Med Chem (2017) 25: 5278-5289 [PMID:28807575]
ChEMBL Inhibition of human DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake by micro beta scintillation counting analysis B 5.92 pIC50 1200 nM IC50 Bioorg Med Chem (2018) 26: 4127-4135 [PMID:30007567]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.99 pIC50 1033.8 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells B 6.02 pIC50 945 nM IC50 J. Med. Chem. (2009) 52: 6768-6781 [PMID:19821577]
ChEMBL Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting B 6.18 pIC50 660 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells B 6.18 pIC50 658 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]
ChEMBL Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of [3H]DA reuptake after 10 mins by scintillation counting B 6.18 pIC50 658 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
ChEMBL Inhibition of DAT (unknown origin) assessed as transporter-mediated dopamine reuptake B 6.26 pIC50 550 nM IC50 J. Med. Chem. (2014) 57: 8204-8223 [PMID:24901260]
GtoPdb - - 6.35 pIC50 443 nM IC50 J Med Chem (2009) 52: 6768-81 [PMID:19821577]
DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977]
ChEMBL Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand B 6.43 pKi 371.54 nM Ki J. Med. Chem. (2000) 43: 4151-4159 [PMID:11063611]
integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885595] [GtoPdb: 2444472474464] [UniProtKB: P08648P17787P30926P32297]
ChEMBL Antagonist activity against human ganglionic alpha3beta4alpha5beta2 nAChR in SHSY5Y cells assessed as inhibition of carbamylcholine induced 86Rb+ efflux F 5.74 pIC50 1800 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2109234] [GtoPdb: 472464] [UniProtKB: P17787P32297]
ChEMBL Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 B 6 pIC50 1000 nM IC50 J. Med. Chem. (2005) 48: 4705-4745 [PMID:16033252]
nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
ChEMBL Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta4 B 5.74 pIC50 1800 nM IC50 J. Med. Chem. (2005) 48: 4705-4745 [PMID:16033252]
ChEMBL Antagonist activity at alpha3beta4 nicotinic receptor in human SH-SY5Y cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting F 5.74 pIC50 1800 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Non-competitive antagonist activity at alpha3beta4 nAChR (unknown origin) B 5.74 pIC50 1800 nM IC50 J. Med. Chem. (2014) 57: 8204-8223 [PMID:24901260]
ChEMBL Antagonist activity at alpha3beta4 nAChR receptor in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ efflux by liquid scintillation counting F 8.74 pIC50 1.8 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]
nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907589] [GtoPdb: 472465] [UniProtKB: P17787P43681]
ChEMBL Antagonist activity at alpha4beta2 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting F 4.92 pIC50 12000 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Antagonist activity against human alpha4beta2 nAChR in SHEP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ efflux F 4.92 pIC50 12000 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
ChEMBL Non-competitive antagonist activity at alpha4beta2 nAChR (unknown origin) B 4.92 pIC50 12000 nM IC50 J. Med. Chem. (2014) 57: 8204-8223 [PMID:24901260]
ChEMBL Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ efflux by liquid scintillation counting F 7.92 pIC50 12 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]
nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907591] [GtoPdb: 474465] [UniProtKB: P30926P43681]
ChEMBL Antagonist activity against human alpha4beta4 nAChR in SHEP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ efflux F 4.82 pIC50 15000 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
ChEMBL Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting F 4.92 pIC50 12000 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Antagonist activity at human alpha4beta4 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ efflux by liquid scintillation counting F 7.82 pIC50 15 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]
nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544]
ChEMBL Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7 B 4.3 pIC50 50000 nM IC50 J. Med. Chem. (2005) 48: 4705-4745 [PMID:16033252]
ChEMBL Non-competitive antagonist activity at alpha7 nAChR (unknown origin) B 5.1 pIC50 7900 nM IC50 J. Med. Chem. (2014) 57: 8204-8223 [PMID:24901260]
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells B 5.16 pKi 6970 nM Ki J. Med. Chem. (2009) 52: 6768-6781 [PMID:19821577]
GtoPdb - - 6.36 pKi 441 nM Ki Bioorg Med Chem (2009) 17: 3770-4 [PMID:19442525]
ChEMBL Inhibition of human NET expressed in HEK293 cells assessed as reduction in [3H]-NE uptake by micro beta scintillation counting analysis B 5.49 pIC50 3240 nM IC50 Bioorg Med Chem (2018) 26: 4127-4135 [PMID:30007567]
ChEMBL Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method B 5.49 pIC50 3240 nM IC50 Bioorg Med Chem (2017) 25: 2266-2276 [PMID:28274674]
ChEMBL Inhibition of re-uptake of [3H]-NE at human NET expressed in HEK293 cells by liquid scintillation counting B 5.49 pIC50 3240 nM IC50 Bioorg Med Chem (2017) 25: 5278-5289 [PMID:28807575]
ChEMBL Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by liquid scintillation counting method B 5.49 pIC50 3240 nM IC50 Bioorg Med Chem (2016) 24: 5546-5555 [PMID:27647372]
ChEMBL Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting B 5.73 pIC50 1850 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
ChEMBL Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells B 5.73 pIC50 1850 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]
ChEMBL Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting B 5.73 pIC50 1850 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Inhibition of Norepinephrine (NA) reuptake using cloned human transporter was determined B 5.84 pIC50 1450 nM IC50 J. Med. Chem. (2003) 46: 1775-1794 [PMID:12723940]
ChEMBL Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells B 6.35 pIC50 443 nM IC50 J. Med. Chem. (2009) 52: 6768-6781 [PMID:19821577]
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells B 5 pKi >10000 nM Ki J. Med. Chem. (2009) 52: 6768-6781 [PMID:19821577]
ChEMBL Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells after 90 mins by scintillation counting B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2010) 53: 4731-4748 [PMID:20509659]
ChEMBL Inhibition of human SERTexpressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake after 10 mins by scintillation counting B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2010) 53: 8345-8353 [PMID:21058665]
ChEMBL Inhibition of [3H]paroxetine binding at serotonin transporter was determined B 4.33 pIC50 47000 nM IC50 J. Med. Chem. (2003) 46: 1775-1794 [PMID:12723940]
ChEMBL Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells B 7 pIC50 >100 nM IC50 J. Med. Chem. (2010) 53: 2204-2214 [PMID:20158204]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]