atomoxetine [Ligand Id: 7118] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL641 (Atomoxetine, Strattera)
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  • NOP receptor/Nociceptin receptor in Human [ChEMBL: CHEMBL2014] [GtoPdb: 320] [UniProtKB: P41146]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
  • Norepinephrine transporter in Rat [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4]
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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 (null)
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 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]