docosahexaenoic acid [Ligand Id: 1051] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL367149 (Omega-3 marine triglycerides, Doconexent, Docosahexaenoic acid)
  • Cyclooxygenase-1 in Bovine [ChEMBL: CHEMBL2860] [UniProtKB: O62664]
  • This target only has 0 pki data point
  • 0
1 CHEMBL367149_lig_chart_1 Cyclooxygenase-1 Bovine
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  • Cyclooxygenase-2 in Sheep [ChEMBL: CHEMBL4102] [UniProtKB: P79208]
  • This target only has 0 pki data point
  • 0
2 CHEMBL367149_lig_chart_2 Cyclooxygenase-2 Sheep
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  • CYP19A1/Cytochrome P450 19A1 in Human [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
  • This target only has 0 pki data point
  • 0
3 CHEMBL367149_lig_chart_3 Cytochrome P450 19A1 Human
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  • FFA1 receptor/Free fatty acid receptor 1 in Human [ChEMBL: CHEMBL4422] [GtoPdb: 225] [UniProtKB: O14842]
  • This target only has 0 pki data point
  • 0
4 CHEMBL367149_lig_chart_4 Free fatty acid receptor 1 Human
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  • OXE receptor/Oxoeicosanoid receptor 1 in Human [ChEMBL: CHEMBL1628461] [GtoPdb: 271] [UniProtKB: Q8TDS5]
  • This target only has 0 pki data point
  • 0
5 CHEMBL367149_lig_chart_5 Oxoeicosanoid receptor 1 Human
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
  • 0
6 CHEMBL367149_lig_chart_6 Plasmodium falciparum Plasmodium falciparum
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  • Retinoid X receptor-α/Retinoid X receptor alpha in Human [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
  • 5.2
7 CHEMBL367149_lig_chart_7 Retinoid X receptor alpha Human
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  • TRPA1 in Rat [GtoPdb: 485] [UniProtKB: Q6RI86]
  • This target only has 0 pki data point
  • 0
8 CHEMBL367149_lig_chart_8 TRPA1 Rat
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Cyclooxygenase-1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2860] [UniProtKB: O62664]
ChEMBL Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid B 4.82 pIC50 15000 nM IC50 J. Nat. Prod. (2001) 64: 745-749 [PMID:11421736]
Cyclooxygenase-2 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4102] [UniProtKB: P79208]
ChEMBL Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid B 5.01 pIC50 9800 nM IC50 J. Nat. Prod. (2001) 64: 745-749 [PMID:11421736]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Inhibition of aromatase in human placental microsomes by radiometric method B 4.48 pIC50 33200 nM IC50 J. Nat. Prod. (2006) 69: 700-703 [PMID:16643058]
FFA1 receptor/Free fatty acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4422] [GtoPdb: 225] [UniProtKB: O14842]
ChEMBL Agonist activity at GPR40 expressed in CHO cells after 20 seconds by aequorin bioluminescence assay in presence of 0.1 % human serum F 4.44 pEC50 36000 nM EC50 ACS Med. Chem. Lett. (2012) 3: 726-730 [PMID:24900539]
ChEMBL Agonist activity at GPR40 (unknown origin) by Fluo-4 AM dye based calcium mobilization assay B 4.93 pEC50 11700 nM EC50 ACS Med. Chem. Lett. (2016) 7: 579-583 [PMID:27326330]
GtoPdb - - 6 pEC50 - - - J Biol Chem (2003) 278: 11303-11 [PMID:12496284];
Nature (2003) 422: 173-6 [PMID:12629551]
OXE receptor/Oxoeicosanoid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1628461] [GtoPdb: 271] [UniProtKB: Q8TDS5]
ChEMBL Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis F 5.7 pIC50 2000 nM IC50 J. Med. Chem. (2014) 57: 364-377 [PMID:24351031]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against chloroquine-sensitive final late stage of Plasmodium falciparum NF54-Mal8p1.16-GFP-Luc gametocytes after 24 hrs by BacTiter-Glo assay F 4.85 pIC50 14000 nM IC50 J Med Chem (2019) 62: 1022-1035 [PMID:30562027]
ChEMBL Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 measured after 72 hrs by DAPI staining based high throughput screening assay F 9.37 pIC50 0.43 nM IC50 Bioorg Med Chem Lett (2017) 27: 2602-2607 [PMID:28400231]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 measured after 72 hrs by DAPI staining based high throughput screening assay F 9.4 pIC50 0.4 nM IC50 Bioorg Med Chem Lett (2017) 27: 2602-2607 [PMID:28400231]
Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
ChEMBL Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay B 5.2 pKi 6292 nM Ki J Med Chem (2019) 62: 8809-8818 [PMID:31483660]
ChEMBL Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay B 5.2 pKi 6292 nM Ki J Med Chem (2019) 62: 8809-8818 [PMID:31483660]
TRPA1 in Rat [GtoPdb: 485] [UniProtKB: Q6RI86]
GtoPdb Patch clamp - 4.4 pEC50 - - - PLoS ONE (2012) 7: e38439 [PMID:22723860]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]