atomoxetine [Ligand Id: 7118] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL641 (Atomoxetine, Strattera) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
| ChEMBL | Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT | B | 5.97 | pKd | 1080 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| GtoPdb | - | - | 5.97 | pKd | 1080 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-92 [PMID:9871604] |
| ChEMBL | Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter | B | 5.51 | pIC50 | 3100 | nM | IC50 | J Med Chem (2008) 51: 7265-7272 [PMID:18954038] |
| ChEMBL | Inhibition of human DAT | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 3328-3332 [PMID:18445525] |
| ChEMBL | Inhibition of human DAT | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1346-1349 [PMID:18207394] |
| ChEMBL | Inhibition of dopamine uptake at human DAT transfected in HEK cells | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6151-6155 [PMID:18954981] |
| ChEMBL | Inhibition of dopamine uptake at human DAT expressed in HEK293 cells | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4491-4494 [PMID:18672364] |
| ChEMBL | Inhibition of dopamine uptake at human DAT expressed in HEK cells | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4495-4498 [PMID:18667309] |
| ChEMBL | Inhibition of dopamine uptake at human DAT in human HEK293 cells | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4224-4227 [PMID:18550369] |
| DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
| ChEMBL | Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat striatum | B | 5.84 | pKi | 1451 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3565-3569 [PMID:14505672] |
| ChEMBL | Inhibition of [3H]- DA reuptake into rat striatal synaptosomes | B | 5.85 | pKi | 1400 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand | B | 6.15 | pKi | 707.95 | nM | Ki | J Med Chem (2000) 43: 4151-4159 [PMID:11063611] |
| ChEMBL | Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 58-61 [PMID:19038547] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG expressed in HEK293 cells by patch-clamp method | B | 5.68 | pIC50 | 2100 | nM | IC50 | J Med Chem (2008) 51: 7265-7272 [PMID:18954038] |
| Krueppel-like factor 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3407312] [UniProtKB: Q13118] | ||||||||
| ChEMBL | Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (2015) 58: 1466-1478 [PMID:25581017] |
| ChEMBL | Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in KLF10-mediated transcriptional activity incubated for 24 hrs by luciferase reporter assay | B | 4 | pIC50 | 100000 | nM | IC50 | US-20170121318-A1. Use of small molecule inhibitors to klf10 for modulation of t regulatory cells and cancer immunotherapy (2017) |
| NOP receptor/Nociceptin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2014] [GtoPdb: 320] [UniProtKB: P41146] | ||||||||
| ChEMBL | Inhibitory activity against Opioid receptor like 1 expressed in HEK293 cells | B | 5.3 | pIC50 | >5000 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 4083-4085 [PMID:15225731] |
| NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
| GtoPdb | - | - | 8.69 | pKd | 2.03 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-92 [PMID:9871604] |
| ChEMBL | Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter | B | 8.69 | pKd | 2.03 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Inhibition of human NET | B | 8.29 | pIC50 | 5.1 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1346-1349 [PMID:18207394] |
| ChEMBL | Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter | B | 8.29 | pIC50 | 5.1 | nM | IC50 | J Med Chem (2008) 51: 7265-7272 [PMID:18954038] |
| ChEMBL | Inhibition of human NET | B | 8.29 | pIC50 | 5.1 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 3328-3332 [PMID:18445525] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in HEK cells | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4495-4498 [PMID:18667309] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET transfected in HEK cells | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6151-6155 [PMID:18954981] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET in human HEK293 cells | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4224-4227 [PMID:18550369] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4491-4494 [PMID:18672364] |
| ChEMBL | Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cells by scintillation counting | B | 8.51 | pIC50 | 3.1 | nM | IC50 | J Med Chem (2009) 52: 5703-5711 [PMID:19722525] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 1555-1558 [PMID:20153188] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK cells | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4929-4931 [PMID:18771916] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2464-2467 [PMID:19329313] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6067-6070 [PMID:18951020] |
| Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
| ChEMBL | Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region | B | 8.3 | pKi | 5 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3565-3569 [PMID:14505672] |
| ChEMBL | Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes | B | 9.15 | pKi | 0.7 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 4.7 | pIC50 | 19952.62 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 5.2 | pIC50 | 6309.57 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 5.3 | pIC50 | 5011.87 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 5.8 | pIC50 | 1584.89 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| GtoPdb | - | - | 8.05 | pKd | 8.9 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-92 [PMID:9871604] |
| ChEMBL | Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT | B | 8.05 | pKd | 8.9 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter | B | 6.72 | pIC50 | 190 | nM | IC50 | J Med Chem (2008) 51: 7265-7272 [PMID:18954038] |
| ChEMBL | Inhibition of human SERT | B | 6.72 | pIC50 | 190 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 3328-3332 [PMID:18445525] |
| ChEMBL | Inhibition of human SERT | B | 6.72 | pIC50 | 190 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1346-1349 [PMID:18207394] |
| ChEMBL | Inhibition of serotonin uptake at human SERT in human HEK293 cells | B | 6.74 | pIC50 | 180 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4224-4227 [PMID:18550369] |
| ChEMBL | Inhibition of serotonin uptake at human SERT transfected in HEK cells | B | 6.74 | pIC50 | 180 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6151-6155 [PMID:18954981] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in HEK cells | B | 6.74 | pIC50 | 180 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4495-4498 [PMID:18667309] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in HEK293 cells | B | 6.74 | pIC50 | 180 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4491-4494 [PMID:18672364] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in human JAR cells | B | 7.32 | pIC50 | 48 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2464-2467 [PMID:19329313] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in JAR cells | B | 7.32 | pIC50 | 48 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6067-6070 [PMID:18951020] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in JAR cells | B | 7.32 | pIC50 | 48 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4929-4931 [PMID:18771916] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry | B | 5.82 | pKi | 1500 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 58-61 [PMID:19038547] |
| ChEMBL | Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian | B | 7.11 | pKi | 77 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3565-3569 [PMID:14505672] |
| ChEMBL | Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes | B | 7.37 | pKi | 43 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380] | ||||||||
| ChEMBL | Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry | B | 8.4 | pKi | 4 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 58-61 [PMID:19038547] |
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]
