LG100268 [Ligand Id: 2808] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL288436
  • Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Rat [ChEMBL: CHEMBL2129] [GtoPdb: 593] [UniProtKB: P37230]
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  • Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
  • Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Rat [ChEMBL: CHEMBL4797] [GtoPdb: 595] [UniProtKB: O88275]
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  • Retinoic acid receptor-α/Retinoic acid receptor alpha in Human [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276]
  • Retinoic acid receptor alpha in Rat [ChEMBL: CHEMBL2269] [UniProtKB: Q499N1]
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  • Retinoic acid receptor-β/Retinoic acid receptor beta in Human [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826]
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  • Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631]
  • Retinoic acid receptor gamma in Rat [ChEMBL: CHEMBL2630] [UniProtKB: D3ZWV0]
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  • Retinoid X receptor-α/Retinoid X receptor alpha in Human [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
  • Retinoid X receptor-α/Retinoid X receptor alpha in Rat [ChEMBL: CHEMBL4431] [GtoPdb: 610] [UniProtKB: Q05343]
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  • Retinoid X receptor-β/Retinoid X receptor beta in Human [ChEMBL: CHEMBL1870] [GtoPdb: 611] [UniProtKB: P28702]
  • Retinoid X receptor-β/Retinoid X receptor beta in Mouse [ChEMBL: CHEMBL4047] [GtoPdb: 611] [UniProtKB: P28704]
  • Retinoid X receptor-β/Retinoid X receptor beta in Rat [ChEMBL: CHEMBL2805] [GtoPdb: 611] [UniProtKB: P49743]
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  • Retinoid X receptor-γ/Retinoid X receptor gamma in Human [ChEMBL: CHEMBL2004] [GtoPdb: 612] [UniProtKB: P48443]
  • Retinoid X receptor-γ/Retinoid X receptor gamma in Mouse [ChEMBL: CHEMBL4402] [GtoPdb: 612] [UniProtKB: P28705]
  • Retinoid X receptor-γ/Retinoid X receptor gamma in Rat [ChEMBL: CHEMBL4277] [GtoPdb: 612] [UniProtKB: Q5BJR8]
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  • Retinoid X receptor-α/Peroxisome proliferator-activated receptor-γ/RXR alpha/PPAR gamma in Human [ChEMBL: CHEMBL2111394] [GtoPdb: 610595] [UniProtKB: P19793P37231]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2129] [GtoPdb: 593] [UniProtKB: P37230]
ChEMBL Binding affinity for Peroxisome proliferator activated receptor alpha was determined B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
ChEMBL In vitro agonist efficacy against PPAR gamma along with 100 nM BRL-49653 F 6.79 pEC50 161 nM EC50 Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
ChEMBL In vitro agonistic activity against PPAR gamma along with 100 nM BRL-49653 F 7.73 pEC50 18.6 nM EC50 Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4797] [GtoPdb: 595] [UniProtKB: O88275]
ChEMBL Binding affinity for Peroxisome proliferator activated receptor gamma was determined B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276]
ChEMBL Binding affinity against retinoic acid receptor alpha by [3H]ATRA displacement. B 5.56 pKi 2745 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
ChEMBL Binding affinity against RAR alpha receptor using [3H]ATRA as radioligand in CV-1 cells B 5.81 pKi 1550 nM Ki Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
Retinoic acid receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2269] [UniProtKB: Q499N1]
ChEMBL Binding affinity for Retinoic acid receptor alpha was determined by competing with 3[H]-ATRA B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoic acid receptor-β/Retinoic acid receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826]
ChEMBL Binding affinity against RAR beta receptor using [3H]ATRA as radioligand in CV-1 cells B 5 pKi 9901 nM Ki Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
ChEMBL Binding affinity for Retinoic acid receptor beta was determined by competing with 3[H]-ATRA B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631]
ChEMBL Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]ATRA as radioligand B 5 pKi 10000 nM Ki J. Med. Chem. (2003) 46: 2683-2696 [PMID:12801232]
ChEMBL Binding affinity against RAR gamma receptor using [3H]ATRA as radioligand in CV-1 cells B 5 pKi 9901 nM Ki Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
Retinoic acid receptor gamma in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2630] [UniProtKB: D3ZWV0]
ChEMBL Binding affinity for Retinoic acid receptor gamma was determined by competing with 3[H]-ATRA B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793]
ChEMBL Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay. B 8.52 pKd 3 nM Kd J. Med. Chem. (1995) 38: 3146-3155 [PMID:7636877]
ChEMBL Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]9-cis-RA as radioligand B 7.74 pKi 18 nM Ki J. Med. Chem. (2003) 46: 2683-2696 [PMID:12801232]
ChEMBL Binding affinity against RXR alpha receptor using [3H]9-cis-RA as radioligand in CV-1 cells B 7.89 pKi 12.9 nM Ki Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
ChEMBL Binding affinity against Retinoic acid receptor RXR-alpha by [3H]9-cis-RA displacement. B 8.52 pKi 3 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
ChEMBL Antagonist activity for Retinoic X receptor alpha in CV1 cells F 8.1 pIC50 8 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
GtoPdb - - 8.5 pIC50 - - - Curr Pharm Des (2000) 6: 25-58 [PMID:10637371];
Nature (1996) 383: 450-3 [PMID:8837780];
J Med Chem (1994) 37: 408-14 [PMID:8308867]
ChEMBL Activation of human RXRalpha activity expressed in COS1 cells after 12 hrs by RXRE-luciferase reporter gene assay B 7.4 pEC50 40 nM EC50 J. Med. Chem. (2013) 56: 2581-2605 [PMID:23472886]
ChEMBL In vitro agonistic activity against RXR alpha in CV-1 cells F 7.77 pEC50 17 nM EC50 Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
ChEMBL Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro F 7.96 pEC50 11 nM EC50 J. Med. Chem. (2003) 46: 2683-2696 [PMID:12801232]
ChEMBL Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay. B 8.4 pEC50 4 nM EC50 J. Med. Chem. (1995) 38: 3146-3155 [PMID:7636877]
Retinoid X receptor-α/Retinoid X receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4431] [GtoPdb: 610] [UniProtKB: Q05343]
ChEMBL Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA B 7.74 pKi 18 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
ChEMBL In vitro transcriptional activation in CV-1 cells expressing RXR-alpha B 7.96 pEC50 11 nM EC50 J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoid X receptor-β/Retinoid X receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1870] [GtoPdb: 611] [UniProtKB: P28702]
ChEMBL Displacement of [3H]9-cis-RA from RXR beta receptor in CV-1 cells B 7.12 pKi 75 nM Ki Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
ChEMBL Displacement of [3H]9-cis-RA from Retinoic X receptor beta B 8.12 pKi 7.5 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
Retinoid X receptor-β/Retinoid X receptor beta in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4047] [GtoPdb: 611] [UniProtKB: P28704]
ChEMBL Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay. B 8.52 pKd 3 nM Kd J. Med. Chem. (1995) 38: 3146-3155 [PMID:7636877]
ChEMBL Binding affinity against retinoic acid receptor beta by [3H]ATRA displacement. B 5.45 pKi 3515 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
ChEMBL Ability to activate gene expression at Retinoic acid receptor RXR-beta was evaluated in a cotransfection assay. B 8.52 pEC50 3 nM EC50 J. Med. Chem. (1995) 38: 3146-3155 [PMID:7636877]
Retinoid X receptor-β/Retinoid X receptor beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2805] [GtoPdb: 611] [UniProtKB: P49743]
ChEMBL Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA B 7.7 pKi 20 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoid X receptor-γ/Retinoid X receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2004] [GtoPdb: 612] [UniProtKB: P48443]
ChEMBL Binding affinity against RXR gamma receptor using [3H]9-cis-RA as radioligand in CV-1 cells B 7.92 pKi 12 nM Ki Bioorg. Med. Chem. Lett. (2003) 13: 4071-4075 [PMID:14592510]
ChEMBL Displacement of [3H]9-cis-RA from retinoic X receptor gamma B 7.92 pKi 12 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
Retinoid X receptor-γ/Retinoid X receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4402] [GtoPdb: 612] [UniProtKB: P28705]
ChEMBL Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay. B 8.52 pKd 3 nM Kd J. Med. Chem. (1995) 38: 3146-3155 [PMID:7636877]
ChEMBL Binding affinity against retinoic acid receptor gamma by [3H]ATRA displacement. B 5 pKi >10000 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1593-1598 [PMID:15006411]
ChEMBL Ability to activate gene expression at Retinoic acid receptor RXR-gamma was evaluated in a cotransfection assay. B 8.4 pEC50 4 nM EC50 J. Med. Chem. (1995) 38: 3146-3155 [PMID:7636877]
Retinoid X receptor-γ/Retinoid X receptor gamma in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4277] [GtoPdb: 612] [UniProtKB: Q5BJR8]
ChEMBL Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA B 7.74 pKi 18 nM Ki J. Med. Chem. (2003) 46: 4087-4103 [PMID:12954061]
Retinoid X receptor-α/Peroxisome proliferator-activated receptor-γ/RXR alpha/PPAR gamma in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111394] [GtoPdb: 610595] [UniProtKB: P19793P37231]
GtoPdb - - 8.5 pIC50 - - - Curr Pharm Des (2000) 6: 25-58 [PMID:10637371];
Nature (1996) 383: 450-3 [PMID:8837780];
J Med Chem (1994) 37: 408-14 [PMID:8308867]
ChEMBL Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro F 7.42 pEC50 38 nM EC50 J. Med. Chem. (2003) 46: 2683-2696 [PMID:12801232]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]