bupropion [Ligand Id: 7135] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL894 (Amfebutamone, Bupropion, 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 [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: 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 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 31:
Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]
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