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ChEMBL ligand: CHEMBL8659 (18:1(N-9), 9-octadecenoic acid, (z)-, 9z-octadecenoic acid, FEMA NO. 2815, NSC-9856, Oleate, Oleic acid, Osteum, Priolene 6936, Vopcolene 27, Wecoline oo) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Fatty acid amide hydrolase/Anandamide amidohydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2243] [GtoPdb: 1400] [UniProtKB: O00519] | ||||||||
ChEMBL | Inhibition of FAAH | B | 5.22 | pKi | 6000 | nM | Ki | J Med Chem (2008) 51: 7327-7343 [PMID:18983142] |
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 | 4.1 | pIC50 | 80000 | nM | IC50 | J Nat Prod (1998) 61: 1352-1355 [PMID:9834151] |
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 | 4.49 | pIC50 | 32700 | nM | IC50 | J Nat Prod (2006) 69: 700-703 [PMID:16643058] |
DNA topoisomerase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781] [GtoPdb: 2636] [UniProtKB: P11387] | ||||||||
ChEMBL | Inhibition of DNA topoisomerase 1 | B | 4.51 | pIC50 | 31000 | nM | IC50 | J Nat Prod (2002) 65: 1715-1718 [PMID:12444712] |
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 | 5.82 | pKi | 1500 | nM | Ki | Bioorg Med Chem (2016) 24: 4310-4317 [PMID:27460668] |
ChEMBL | Displacement of 1,8-ANS from aFABP by fluorescence based-assay | B | 6.73 | pKi | 185 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 3511-3515 [PMID:17502136] |
ChEMBL | Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins | B | 4.58 | pIC50 | 26100 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3675-3679 [PMID:20471252] |
fatty acid binding protein 5/Fatty acid binding protein epidermal in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3674] [GtoPdb: 2535] [UniProtKB: Q01469] | ||||||||
ChEMBL | Displacement of 1,8-ANS from eFABP by fluorescence based-assay | B | 6.61 | pKi | 248 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 3511-3515 [PMID:17502136] |
fatty acid binding protein 1/Fatty acid-binding protein, liver in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5421] [GtoPdb: 2531] [UniProtKB: P07148] | ||||||||
ChEMBL | Binding affinity to L-FABP low binding affinity site by titration calorimetry method | B | 6.05 | pKd | 900 | nM | Kd | J Med Chem (2008) 51: 3755-3764 [PMID:18533710] |
ChEMBL | Binding affinity to L-FABP high binding affinity site by titration calorimetry method | B | 6.7 | pKd | 200 | nM | Kd | J Med Chem (2008) 51: 3755-3764 [PMID:18533710] |
fatty acid binding protein 1/Fatty acid-binding protein, liver in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5738] [GtoPdb: 2531] [UniProtKB: P02692] | ||||||||
ChEMBL | Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay | B | 5.54 | pKi | 2900 | nM | Ki | J Med Chem (2008) 51: 3755-3764 [PMID:18533710] |
ChEMBL | Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay | B | 6.74 | pKi | 180 | nM | Ki | J Med Chem (2008) 51: 3755-3764 [PMID:18533710] |
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 | 4.05 | pEC50 | 90000 | nM | EC50 | J Med Chem (2021) 64: 9732-9758 [PMID:34213345] |
ChEMBL | Activation of human SIRT6 deacetylase activity expressed in Escherichia coli BL21(DE3) expressed in Escherichia coli using H3K9Ac peptide substrate | B | 4.05 | pEC50 | 89000 | 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 | Inhibition of PPAR-alpha (unknown origin) by SPA assay | B | 6.22 | pIC50 | 600 | 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 | 6.22 | pIC50 | 600 | nM | IC50 | Med Chem Res (2013) 22: 3126-3133 |
ChEMBL | Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase/beta-galactosidase reporter gene assay | B | 4.44 | pEC50 | 36000 | nM | EC50 | J Med Chem (2022) 65: 1961-1978 [PMID:35089724] |
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 | 5.28 | pIC50 | 5300 | 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] | ||||||||
ChEMBL | Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay | B | 5.39 | pIC50 | 4100 | nM | IC50 | Med Chem Res (2013) 22: 3126-3133 |
protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
ChEMBL | Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method | B | 5.21 | pIC50 | 6200 | nM | IC50 | J Nat Prod (2020) 83: 1598-1610 [PMID:32255628] |
Seed lipoxygenase-1 in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4586] [UniProtKB: P08170] | ||||||||
ChEMBL | Binding affinity to soybean LO1 | B | 4.66 | pKi | 22000 | nM | Ki | Bioorg Med Chem (2009) 17: 6534-6539 [PMID:19716306] |
Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746] | ||||||||
ChEMBL | Inhibition of telomerase extracted from human K562 cells preincubated for 10 mins followed by dNTPs and telomerase substrate primer TS-A addition measured after 30 mins by TRAP assay | B | 5.07 | pIC50 | 8600 | nM | IC50 | Medchemcomm (2011) 2: 229-245 |
TRPV2/Transient receptor potential cation channel subfamily V member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2863] [GtoPdb: 508] [UniProtKB: Q9WUD2] | ||||||||
ChEMBL | Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins followed by agonist addition by Fuo-4-AM based spectrofluorimetry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2018) 61: 8255-8281 [PMID:30176215] |
ChEMBL | Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins followed by agonist addition by Fuo-4-AM based spectrofluorimetry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2018) 61: 8255-8281 [PMID:30176215] |
FFA4 receptor in Human [GtoPdb: 127] [UniProtKB: Q5NUL3] | ||||||||
GtoPdb | - | - | 4.7 | pEC50 | - | - | - | Mol Pharmacol (2012) 81: 631-42 [PMID:22282525] |
FFA1 receptor in Human [GtoPdb: 225] [UniProtKB: O14842] | ||||||||
GtoPdb | - | - | 5.7 | pEC50 | - | - | - |
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 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]