docosahexaenoic acid [Ligand Id: 1051] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL367149 (22:6 n-3, C22:6 (n-3), Cervonic acid, Doconexent, Docosaheaenoic-acid, Docosahexaenoate, Docosahexaenoic acid, Docosahexaenoic acid (c22:6 n3), Docosahexanoic acid, Omega-3 marine triglycerides) |
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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 | F | 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] |
| 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 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]
