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 | 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 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 | 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 | 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 | 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 | 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 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 | 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 | 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 | 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 | 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 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]
