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ChEMBL ligand: CHEMBL267476 (9,12-linoleic acid, C18:2 (n-6), Emersol 315, FEMA NO. 3380, LINOLEIC ACID-, Linoleate, Linoleic acid, Linolic acid, NSC-281243, Octadeca-9,12-Dienoic Acid, Polylin 515, Ronacare asc 3, Unifac 6550) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] | ||||||||
ChEMBL | Displacement of [3H]DPCPX from rat adenosine A1 receptor by liquid scintillation counting | B | 4.19 | pIC50 | 65000 | nM | IC50 | J Nat Prod (1999) 62: 912-914 [PMID:10395519] |
AKR1C3/Aldo-keto-reductase family 1 member C3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330] | ||||||||
ChEMBL | Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells using 9,10-phenanthrenequinone as substrate | B | 6.16 | pIC50 | 690 | nM | IC50 | J Med Chem (2020) 63: 11305-11329 [PMID:32463235] |
ChEMBL | Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells using S-tetralol as substrate | B | 6.16 | pIC50 | 690 | nM | IC50 | J Med Chem (2020) 63: 11305-11329 [PMID:32463235] |
coagulation factor VII/coagulation factor III, tissue factor/Coagulation factor VII/tissue factor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095194] [GtoPdb: 2363, 3192] [UniProtKB: P08709, P13726] | ||||||||
ChEMBL | Inhibition of amidolytic activity of human tissue factor/human factor 7a | B | 4.39 | pIC50 | 41000 | nM | IC50 | J Nat Prod (1998) 61: 1352-1355 [PMID:9834151] |
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
ChEMBL | Inhibition of COX1 | B | 4.89 | pIC50 | 13000 | nM | IC50 | J Nat Prod (2005) 68: 985-991 [PMID:16038536] |
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 | 4.03 | pIC50 | 94000 | 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 | 4.32 | pIC50 | 48000 | nM | IC50 | J Nat Prod (2006) 69: 700-703 [PMID:16643058] |
Dual specificity protein phosphatase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2635] [UniProtKB: P51452] | ||||||||
ChEMBL | Inhibition of GST-tagged human VHR using pNpp as substrate after 30 mins | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6833-6837 [PMID:21962577] |
fatty acid binding protein 4/Fatty acid binding protein adipocyte in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2083] [GtoPdb: 2534] [UniProtKB: P15090] | ||||||||
ChEMBL | Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay | B | 5.17 | pKi | 6800 | nM | Ki | Bioorg Med Chem (2016) 24: 4310-4317 [PMID:27460668] |
ChEMBL | Inhibition of FABP4 (unknown origin) | B | 4.75 | pIC50 | 17700 | nM | IC50 | Eur J Med Chem (2015) 90: 241-250 [PMID:25461324] |
ChEMBL | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins | B | 4.87 | pIC50 | 13600 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3675-3679 [PMID:20471252] |
ChEMBL | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3675-3679 [PMID:20471252] |
fatty acid binding protein 3/Fatty acid binding protein muscle in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3344] [GtoPdb: 2533] [UniProtKB: P05413] | ||||||||
ChEMBL | Displacement of 1,8-ANS from His6-tagged FABP3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay | B | 5.03 | pKi | 9300 | nM | Ki | Bioorg Med Chem (2016) 24: 4310-4317 [PMID:27460668] |
ChEMBL | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3675-3679 [PMID:20471252] |
ChEMBL | Inhibition of FABP4 (unknown origin) relative to linoleic acid | B | 6 | pIC50 | 1000 | nM | IC50 | Eur J Med Chem (2015) 90: 241-250 [PMID:25461324] |
ChEMBL | Inhibition of FABP3 (unknown origin) relative to linoleic acid | B | 6 | pIC50 | 1000 | nM | IC50 | Eur J Med Chem (2015) 90: 241-250 [PMID:25461324] |
FFA1 receptor/Free fatty acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4422] [GtoPdb: 225] [UniProtKB: O14842] | ||||||||
ChEMBL | Agonist activity at human GPR40 expressed in human HEK293 cells assessed as increase in intracellular calcium flux after 10 mins by fluorescence assay | F | 5.32 | pEC50 | 4800 | nM | EC50 | Bioorg Med Chem (2018) 26: 5780-5791 [PMID:30392954] |
ChEMBL | Agonist activity at human FFA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based assay | F | 5.32 | pEC50 | 4800 | nM | EC50 | Bioorg Med Chem Lett (2019) 29: 848-852 [PMID:30685095] |
GtoPdb | - | - | 5.7 | pEC50 | 1990 | nM | EC50 |
J Biol Chem (2003) 278: 11303-11 [PMID:12496284]; Biochem Biophys Res Commun (2003) 301: 406-10 [PMID:12565875]; Nature (2003) 422: 173-6 [PMID:12629551] |
ChEMBL | Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay | F | 5.74 | pEC50 | 1800 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 6357-6361 [PMID:18993064] |
ChEMBL | Agonist activity at human GPR40 expressed in CHOK1 cells by fluorescence assay | F | 6.26 | pEC50 | 549.54 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 6357-6361 [PMID:18993064] |
ChEMBL | Agonist activity at human GPR40 expressed in CHOK1 cells by fluorescence assay | F | 6.27 | pEC50 | 540 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 6357-6361 [PMID:18993064] |
ChEMBL | Agonist activity at GPR40 | F | 6.27 | pEC50 | 540 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 6357-6361 [PMID:18993064] |
FFA4 receptor/G-protein coupled receptor 120 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5339] [GtoPdb: 127] [UniProtKB: Q5NUL3] | ||||||||
GtoPdb | - | - | 5.89 | pEC50 | - | - | EC50 | Br J Pharmacol (2006) 148: 619-28 [PMID:16702987] |
ChEMBL | Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR | F | 6.5 | pEC50 | 316.23 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 3100-3103 [PMID:24881566] |
sirtuin 6/NAD-dependent protein deacetylase sirtuin-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163182] [GtoPdb: 2712] [UniProtKB: Q8N6T7] | ||||||||
ChEMBL | Activation of recombinant His-tagged SIRT6 (unknown origin) deacetylase activity expressed in Escherichia coli using H3K9Ac peptide substrate | B | 4 | pEC50 | 100000 | nM | EC50 | J Med Chem (2021) 64: 9732-9758 [PMID:34213345] |
Nuclear receptor related 1/Nuclear receptor subfamily 4 group A member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5002] [GtoPdb: 630] [UniProtKB: P43354] | ||||||||
ChEMBL | Binding affinity towards Nurr1 ligand binding domain (unknown origin) measured by tryptophan fluorescence spectroscopy | B | 4.3 | pKd | 50000 | nM | Kd | J Med Chem (2022) 65: 9548-9563 [PMID:35797147] |
Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL239] [GtoPdb: 593] [UniProtKB: Q07869] | ||||||||
ChEMBL | Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay | B | 8.32 | pKd | 4.8 | nM | Kd | Med Chem Res (2009) 18: 8-19 |
ChEMBL | Inhibition of PPAR-alpha (unknown origin) by SPA assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | Med Chem Res (2009) 18: 8-19 |
ChEMBL | Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | Med Chem Res (2013) 22: 3126-3133 |
Peroxisome proliferator-activated receptor-β/δ/Peroxisome proliferator-activated receptor delta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3979] [GtoPdb: 594] [UniProtKB: Q03181] | ||||||||
ChEMBL | Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay | B | 5 | pIC50 | 10000 | nM | IC50 | Med Chem Res (2013) 22: 3126-3133 |
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
GtoPdb | - | - | 5.3 | pKd | - | - | - |
Eur J Pharmacol (2001) 417: 77-89 [PMID:11301062]; Eur J Biochem (2004) 271: 386-97 [PMID:14717706] |
ChEMBL | Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay | B | 5.21 | pIC50 | 6200 | nM | IC50 | Med Chem Res (2013) 22: 3126-3133 |
Protein-tyrosine phosphatase LC-PTP in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2219] [UniProtKB: P35236] | ||||||||
ChEMBL | Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 mins | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6833-6837 [PMID:21962577] |
Seed lipoxygenase-1 in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4586] [UniProtKB: P08170] | ||||||||
ChEMBL | Mixed-type inhibition of soybean LO1 | B | 4.89 | pIC50 | 13000 | nM | IC50 | Bioorg Med Chem (2009) 17: 6534-6539 [PMID:19716306] |
ChEMBL | Competitive inhibition of soybean LO1 | B | 4.96 | pIC50 | 11000 | nM | IC50 | Bioorg Med Chem (2009) 17: 6534-6539 [PMID:19716306] |
ChEMBL | Allosteric inhibition of soybean LO1 | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem (2009) 17: 6534-6539 [PMID:19716306] |
Kv2.1 in Human [GtoPdb: 546] [UniProtKB: Q14721] | ||||||||
GtoPdb | - | - | 5.1 | pIC50 | - | - | - | Am J Physiol, Cell Physiol (2001) 281: C1277-84 [PMID:11546665] |
GtoPdb | - | - | 5.6 | pEC50 | - | - | - | Am J Physiol, Cell Physiol (2001) 281: C1277-84 [PMID:11546665] |
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]