pirinixic acid [Ligand Id: 2666] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL295416 (NSC-310038, Pirinixic acid, WY-14643) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
| ChEMBL | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | B | 5.55 | pIC50 | 2816.9 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Cyclooxygenase-1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979] | ||||||||
| ChEMBL | Inhibition of ovine COX1 | B | 8 | pIC50 | >10 | nM | IC50 | J Med Chem (2008) 51: 8068-8076 [PMID:19053751] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of human recombinant COX2 | B | 8 | pIC50 | >10 | nM | IC50 | J Med Chem (2008) 51: 8068-8076 [PMID:19053751] |
| 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 PPARalpha (unknown origin) assessed as thermodynamic dissociation constant by SPR assay | B | 7.72 | pKd | 18.9 | nM | Kd | Eur J Med Chem (2017) 127: 379-397 [PMID:28076827] |
| ChEMBL | Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based competitive binding TR-FRET assay | B | 5.35 | pKi | 4500 | nM | Ki | Bioorg Med Chem (2018) 26: 5654-5663 [PMID:30352713] |
| ChEMBL | Binding affinity to PPARalpha (unknown origin) by TR-FRET assay | B | 5.38 | pKi | 4130 | nM | Ki | Bioorg Med Chem (2019) 27: 2948-2958 [PMID:31128991] |
| ChEMBL | Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assay | B | 4.44 | pIC50 | 36300 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 3757-3763 [PMID:25037914] |
| ChEMBL | Binding affinity to GST-tagged human PPARalpha by TR-FRET analysis | B | 5 | pIC50 | 10110 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4122-4126 [PMID:22579420] |
| ChEMBL | Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay | B | 4.4 | pEC50 | 39800 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 4048-4052 [PMID:25022880] |
| ChEMBL | Agonist activity at recombinant human PPARalpha LBD (168 to 468 residues) expressed in African green monkey COS-1 cells incubated for 18 hrs by luciferase reporter gene assay | B | 4.41 | pEC50 | 39000 | nM | EC50 | Eur J Med Chem (2018) 155: 736-753 [PMID:29940464] |
| ChEMBL | Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay | B | 4.44 | pEC50 | 36000 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| ChEMBL | Effective concentration for human peroxisome proliferator-activated receptor gamma | B | 4.54 | pEC50 | 29000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1497-1500 [PMID:15713415] |
| ChEMBL | Agonist activity at human PPARalpha expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured after 48 hrs by transactivation assay | B | 4.63 | pEC50 | 23330 | nM | EC50 | Bioorg Med Chem (2013) 21: 766-778 [PMID:23265844] |
| ChEMBL | Agonist activity at human PPARalpha assessed as luciferase activity by transactivation assay | F | 4.63 | pEC50 | 23330 | nM | EC50 | J Med Chem (2009) 52: 6835-6850 [PMID:19807106] |
| ChEMBL | In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha) | B | 4.81 | pEC50 | 15500 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 3507-3511 [PMID:15177462] |
| ChEMBL | Agonist activity at human PPARalpha by transactivation assay | F | 4.89 | pEC50 | 13000 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 3198-3202 [PMID:17379517] |
| ChEMBL | Effective concentration for human peroxisome proliferator-activated receptor alpha | B | 4.89 | pEC50 | 13000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1497-1500 [PMID:15713415] |
| ChEMBL | In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha) | B | 4.9 | pEC50 | 12600 | nM | EC50 | J Med Chem (2003) 46: 4883-4894 [PMID:14584939] |
| ChEMBL | In vitro transactivation using receptor transactivation assay against hPPAR alpha | F | 4.9 | pEC50 | 12600 | nM | EC50 | J Med Chem (2002) 45: 789-804 [PMID:11831892] |
| ChEMBL | Agonist activity at human PPARalpha in U2OS cells by transactivation assay | F | 4.92 | pEC50 | 12000 | nM | EC50 | Eur J Med Chem (2008) 43: 2428-2435 [PMID:18329751] |
| ChEMBL | Transactivation of human Gal4-fused PPARalpha LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay | B | 5 | pEC50 | 10000 | nM | EC50 | Eur J Med Chem (2017) 137: 310-326 [PMID:28609708] |
| ChEMBL | In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay | F | 5 | pEC50 | >10000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 4421-4426 [PMID:16137885] |
| ChEMBL | Agonist activity at GAL4-fused PPARalpha A454M mutant (unknown origin) expressed in human HepG2 cells by transactivation assay | B | 5.15 | pEC50 | 7100 | nM | EC50 | Eur J Med Chem (2013) 63: 321-332 [PMID:23502212] |
| GtoPdb | - | - | 5.3 | pEC50 | - | - | - | J Med Chem (2000) 43: 527-50 [PMID:10691680] |
| ChEMBL | Agonist activity for Human PPAR alpha receptor in transcriptional activation assay | F | 5.3 | pEC50 | 5000 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| ChEMBL | Agonist activity at human PPARalpha | B | 5.3 | pEC50 | 5000 | nM | EC50 | Eur J Med Chem (2020) 197: 112311-112311 [PMID:32339855] |
| ChEMBL | Transactivation of human PPARalpha expressed in human HepG2 cells co-transfected with PPRE3-TK-Luc by luciferase reporter gene assay | B | 5.32 | pEC50 | 4800 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 3103-3109 [PMID:21450468] |
| ChEMBL | Agonist activity at PPARalpha expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assay relative to control | F | 5.32 | pEC50 | 4800 | nM | EC50 | Bioorg Med Chem (2008) 16: 7117-7127 [PMID:18625559] |
| ChEMBL | Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay | B | 5.46 | pEC50 | 3460 | nM | EC50 | Eur J Med Chem (2013) 63: 321-332 [PMID:23502212] |
| ChEMBL | Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by luciferase reporter gene assay relative to WY-14643 | B | 5.52 | pEC50 | 3000 | nM | EC50 | J Nat Prod (2019) 82: 1802-1812 [PMID:31268307] |
| ChEMBL | Agonist activity at human PPARalpha ligand binding domain expressed in human Hep G2 cells co-transfected with Gal4-DBD by luciferase reporter gene assay | B | 5.79 | pEC50 | 1620 | nM | EC50 | J Med Chem (2008) 51: 7768-7776 [PMID:19053776] |
| ChEMBL | Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation incubated for 20 hrs by luciferase reporter gene assay | B | 5.79 | pEC50 | 1620 | nM | EC50 | Eur J Med Chem (2015) 90: 583-594 [PMID:25497132] |
| ChEMBL | Effective concentration against human PPARalpha expressed in HepG2 cells | B | 5.8 | pEC50 | 1600 | nM | EC50 | J Med Chem (2005) 48: 5509-5519 [PMID:16107150] |
| ChEMBL | Transactivation of GAL4-fused human PPARalpa LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay | B | 5.8 | pEC50 | 1600 | nM | EC50 | Eur J Med Chem (2017) 127: 379-397 [PMID:28076827] |
| ChEMBL | Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivation assay | B | 5.8 | pEC50 | 1600 | nM | EC50 | J Med Chem (2012) 55: 37-54 [PMID:22081932] |
| ChEMBL | Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by luciferase reporter gene assay | B | 5.8 | pEC50 | 1600 | nM | EC50 | J Med Chem (2009) 52: 6382-6393 [PMID:19775169] |
| ChEMBL | Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in HepG2 cells assessed as transactivation after 20 hrs by beta-galactosidase reporter gene assay | B | 5.8 | pEC50 | 1600 | nM | EC50 | Bioorg Med Chem (2012) 20: 2141-2151 [PMID:22341573] |
| ChEMBL | Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay | B | 5.81 | pEC50 | 1560 | nM | EC50 | J Med Chem (2013) 56: 60-72 [PMID:23171045] |
| ChEMBL | Agonist activity at human GAL4-PPARalpha ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay | B | 5.81 | pEC50 | 1560 | nM | EC50 | Eur J Med Chem (2015) 89: 817-825 [PMID:25462281] |
| ChEMBL | Agonist activity at yeast Gal4-fused human PPARalpha LBD transfected in human HepG2 cells assessed as transactivation by measuring beta-galactosidase activity incubated for 20 hrs by luminometry | B | 5.81 | pEC50 | 1560 | nM | EC50 | Eur J Med Chem (2022) 235: 114240-114240 [PMID:35325635] |
| ChEMBL | Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay | B | 5.81 | pEC50 | 1560 | nM | EC50 | J Med Chem (2018) 61: 8282-8298 [PMID:30199253] |
| ChEMBL | Activation of human PPARalpha by GST pull down assay | B | 6.13 | pEC50 | 740 | nM | EC50 | J Med Chem (2007) 50: 389-393 [PMID:17228882] |
| ChEMBL | Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assay | F | 6.15 | pEC50 | 700 | nM | EC50 | J Med Chem (2010) 53: 1076-1085 [PMID:20073471] |
| ChEMBL | Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay | F | 6.19 | pEC50 | 650 | nM | EC50 | ACS Med Chem Lett (2011) 2: 793-797 [PMID:24936232] |
| ChEMBL | Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay | F | 6.27 | pEC50 | 542 | nM | EC50 | ACS Med Chem Lett (2011) 2: 793-797 [PMID:24936232] |
| ChEMBL | Transactivation of human PPARalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay | B | 6.89 | pEC50 | 130 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 4122-4126 [PMID:22579420] |
| Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2128] [GtoPdb: 593] [UniProtKB: P23204] | ||||||||
| ChEMBL | Binding affinity towards peroxisome proliferator activated receptor alpha (murinePPAR alpha) | B | 7 | pKi | 100 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3185-3190 [PMID:12951090] |
| ChEMBL | Agonist activity for murine PPAR alpha receptor in transcriptional activation assay | F | 6.2 | pEC50 | 630 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| ChEMBL | Agonist activity at mouse PPARalpha | B | 6.2 | pEC50 | 630 | nM | EC50 | Eur J Med Chem (2020) 197: 112311-112311 [PMID:32339855] |
| ChEMBL | Effective concentration against murine PPARalpha in transactivation assay | B | 7.4 | pEC50 | 40 | nM | EC50 | J Med Chem (2005) 48: 5509-5519 [PMID:16107150] |
| ChEMBL | Agonist activity at mouse PPARalpha ligand binding domain expressed in human Hep G2 cells co-transfected with Gal4-DBD by luciferase reporter gene assay | B | 7.4 | pEC50 | 40 | nM | EC50 | J Med Chem (2008) 51: 7768-7776 [PMID:19053776] |
| Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2129] [GtoPdb: 593] [UniProtKB: P37230] | ||||||||
| ChEMBL | In vitro transactivation of rat Peroxisome proliferator activated receptor alpha | B | 5.68 | pEC50 | 2100 | nM | EC50 | J Med Chem (2003) 46: 4883-4894 [PMID:14584939] |
| Peroxisome proliferator-activated receptor-β/δ/Peroxisome proliferator-activated receptor delta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3979] [GtoPdb: 594] [UniProtKB: Q03181] | ||||||||
| ChEMBL | Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay | B | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| ChEMBL | Agonist activity for Human PPAR delta receptor in transcriptional activation assay | F | 4.46 | pEC50 | 35000 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| ChEMBL | In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta) | B | 5.84 | pEC50 | 1460 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 3507-3511 [PMID:15177462] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| ChEMBL | Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry | B | 5.87 | pKd | 1340 | nM | Kd | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| ChEMBL | Binding affinity to PPARgamma (unknown origin) assessed as thermodynamic dissociation constant by SPR assay | B | 5.89 | pKd | 1297.3 | nM | Kd | Eur J Med Chem (2017) 127: 379-397 [PMID:28076827] |
| ChEMBL | Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay | B | 4.27 | pIC50 | 53700 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 3757-3763 [PMID:25037914] |
| ChEMBL | Agonist activity for Human PPAR gamma receptor in transcriptional activation assay | F | 4.22 | pEC50 | 60000 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| ChEMBL | Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay | B | 4.27 | pEC50 | 54000 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| ChEMBL | Transactivation of human PPARgamma LBD expressed in african green monkey Cos7 cells co-transfected with fused GAL4-DBD after 14 hrs by Dual-Glo Luciferase reporter gene assay | B | 4.27 | pEC50 | 53700 | nM | EC50 | Bioorg Med Chem Lett (2010) 20: 2469-2473 [PMID:20307981] |
| ChEMBL | Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay | B | 4.27 | pEC50 | 53700 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 4048-4052 [PMID:25022880] |
| ChEMBL | In vitro transactivation using receptor transactivation assay against hPPAR gamma | F | 4.53 | pEC50 | 29300 | nM | EC50 | J Med Chem (2002) 45: 789-804 [PMID:11831892] |
| ChEMBL | In vitro transactivation of human Peroxisome proliferator activated receptor gamma | B | 4.53 | pEC50 | 29300 | nM | EC50 | J Med Chem (2003) 46: 4883-4894 [PMID:14584939] |
| ChEMBL | Agonist activity at human PPARgamma by transactivation assay | F | 4.54 | pEC50 | 29000 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 3198-3202 [PMID:17379517] |
| ChEMBL | In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay | F | 5 | pEC50 | >10000 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 4421-4426 [PMID:16137885] |
| ChEMBL | Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells co-transfected with Gal4 by luciferase reporter gene assay | B | 5.8 | pEC50 | 1600 | nM | EC50 | Bioorg Med Chem (2008) 16: 9498-9510 [PMID:18835719] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238] | ||||||||
| ChEMBL | Agonist activity for murine PPAR gamma receptor in transcriptional activation assay | F | 4.49 | pEC50 | 32000 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793] | ||||||||
| ChEMBL | Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetry | B | 5.89 | pKd | 1280 | nM | Kd | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| ChEMBL | Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay | B | 5.04 | pEC50 | 9100 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| Retinoid X receptor-β/Retinoid X receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1870] [GtoPdb: 611] [UniProtKB: P28702] | ||||||||
| ChEMBL | Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay | B | 4.89 | pEC50 | 13000 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
| Retinoid X receptor-γ/Retinoid X receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2004] [GtoPdb: 612] [UniProtKB: P48443] | ||||||||
| ChEMBL | Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay | B | 4.51 | pEC50 | 31000 | nM | EC50 | J Med Chem (2019) 62: 2112-2126 [PMID:30702885] |
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]
