bupropion [Ligand Id: 7135] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL894 (Amfebutamone, Bupropion, Bupropione, Bupropion extended release, Bupropion slow release, NSC-758686) |
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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: 462, 475, 471, 476] [UniProtKB: P02708, P07510, P11230, Q07001] | ||||||||
| 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 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 | 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 [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 | 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 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 [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 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] |
| ChEMBL | Inhibition of dopamine transporter (unknown origin) assessed as inhibition of dopamine reuptake | B | 6.48 | pIC50 | 330 | nM | IC50 | Bioorg Med Chem Lett (2022) 76: 129009-129009 [PMID:36174836] |
| 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: 2444, 472, 474, 464] [UniProtKB: P08648, P17787, P30926, P32297] | ||||||||
| 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: 472, 464] [UniProtKB: P17787, P32297] | ||||||||
| 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: 474, 464] [UniProtKB: P30926, P32297] | ||||||||
| 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: 472, 465] [UniProtKB: P17787, P43681] | ||||||||
| 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: 474, 465] [UniProtKB: P30926, P43681] | ||||||||
| 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 [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 [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 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]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 [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 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 norepinephrine transporter (unknown origin) assessed as inhibition of norepinephrine reuptake | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem Lett (2022) 76: 129009-129009 [PMID:36174836] |
| 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
