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 (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 33:
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]
