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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 |
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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] |
Retinoid X receptor-α/Peroxisome proliferator-activated receptor-γ/RXR alpha/PPAR gamma in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111394] [GtoPdb: 610, 595] [UniProtKB: P19793, P37231] | ||||||||
ChEMBL | Displacement of CU-6PMN from human PPARgamma-LBD (206 to 477 residues)/human RXRalpha-LBD (224 to 462 residues) heterodimer incubated for 30 mins by fluorospectrometer | B | 5.32 | pIC50 | 4822.4 | nM | IC50 | ACS Med Chem Lett (2023) 14: 291-296 [PMID:36923911] |
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 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]