guggulsterone [Ligand Id: 2745] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL402063 ((E)-Guggulsterone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] | ||||||||
| ChEMBL | Inhibitory concentration against Androgen receptor | B | 6.62 | pKi | 240 | nM | Ki | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Inhibitory concentration against Androgen receptor | B | 6.66 | pIC50 | 220 | nM | IC50 | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1] | ||||||||
| ChEMBL | Inhibitory concentration against Farnesoid X receptor | B | 5.3 | pKi | >5000 | nM | Ki | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Inhibitory concentration against Farnesoid X receptor; range from 50-100000 | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced transactivation after 24 hrs by luciferase reporter gene assay | F | 4.36 | pIC50 | 44000 | nM | IC50 | J Nat Prod (2011) 74: 90-94 [PMID:21142112] |
| ChEMBL | Antagonist activity at human FXR expressed in HEK293 cells assessed as inhibition of GW4064-induced transactivation after 24 hrs by luciferase reporter gene assay | B | 4.39 | pIC50 | 41000 | nM | IC50 | J Nat Prod (2016) 79: 499-506 [PMID:26821210] |
| ChEMBL | Antagonist activity at GST-tagged FXR-LBD (unknown origin) assessed as inhibition of CDCA-induced biotinylated SRC-1 recruitment after 30 mins in presence of CDCA by Alpha Screen assay | B | 4.6 | pIC50 | 25000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Antagonist activity at human wild type FXR expressed in HEK293T cells co-transfected with reporter vector harboring human FXR-IR1 response element sequence after 18 hrs in presence of 0.5 uM FXR agonist, OCR by luciferase based reporter gene transactivation assay | B | 4.89 | pIC50 | 13000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Antagonist activity at human wild type FXR expressed in HEK293T cells co-transfected with reporter vector harboring human FXR-IR1 response element sequence after 18 hrs in presence of 1 uM FXR agonist, UPF-930 by luciferase based reporter gene transactivation assay | B | 5 | pIC50 | 10000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Antagonist activity at human FXR T396E mutant expressed in HEK293T cells co-transfected with reporter vector harboring human FXR-IR1 response element sequence after 18 hrs in presence of 0.5 uM FXR agonist, OCR by luciferase based reporter gene transactivation assay | B | 5.22 | pIC50 | 6000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Antagonist activity at human FXR T396E mutant expressed in HEK293T cells co-transfected with reporter vector harboring human FXR-IR1 response element sequence after 18 hrs in presence of 1 uM FXR agonist, UPF930 by luciferase based reporter gene transactivation assay | B | 5.38 | pIC50 | 4200 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Antagonist activity at human FXR expressed in monkey CV1 cells after 24 hrs by ecdysone receptor response element-driven luciferase reporter assay | F | 5.39 | pIC50 | 4100 | nM | IC50 | J Nat Prod (2007) 70: 1691-1695 [PMID:17988093] |
| GtoPdb | - | - | 6 | pIC50 | 1000 | nM | IC50 | Mol Endocrinol (2002) 16: 1590-7 [PMID:12089353] |
| ChEMBL | Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotinylated SRC-1 recruitment after 30 mins by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Noncompetitive antagonist activity at GST-tagged human FXR-LBD domain assessed as EC50 for OCA-induced biotinylated SRC-1 recruitment at 100 uM after 30 mins in presence of FXR agonist, OCA by Alpha Screen assay (Rvb = 0.2 uM) | B | 6.38 | pEC50 | 420 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Noncompetitive antagonist activity at GST-tagged human FXR-LBD domain assessed as EC50 for UPF930-induced biotinylated SRC-1 recruitment at 50 uM after 30 mins in presence of FXR agonist, UPF930 by Alpha Screen assay (Rvb = 0.14 uM) | B | 6.4 | pEC50 | 400 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Noncompetitive antagonist activity at GST-tagged human FXR-LBD domain assessed as EC50 for UPF930-induced biotinylated SRC-1 recruitment at 100 uM after 30 mins in presence of FXR agonist, UPF930 by Alpha Screen assay (Rvb = 0.14 uM) | B | 6.42 | pEC50 | 380 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Noncompetitive antagonist activity at GST-tagged human FXR-LBD domain assessed as EC50 for OCA-induced biotinylated SRC-1 recruitment at 50 uM after 30 mins in presence of FXR agonist, OCA by Alpha Screen assay (Rvb = 0.2 uM) | B | 6.51 | pEC50 | 310 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Noncompetitive antagonist activity at GST-tagged human FXR-LBD domain assessed as EC50 for OCA-induced biotinylated SRC-1 recruitment at 10 uM after 30 mins in presence of FXR agonist, OCA by Alpha Screen assay (Rvb = 0.2 uM) | B | 6.66 | pEC50 | 220 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Noncompetitive antagonist activity at GST-tagged human FXR-LBD domain assessed as EC50 for UPF930-induced biotinylated SRC-1 recruitment at 10 uM after 30 mins in presence of FXR agonist, UPF930 by Alpha Screen assay (Rvb = 0.14 uM) | B | 6.89 | pEC50 | 130 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Farnesoid X receptor in Mouse [GtoPdb: 603] [UniProtKB: Q3V1T8] | ||||||||
| GtoPdb | - | - | 5 | pEC50 | - | - | - | Science (2002) 296: 1703-6 [PMID:11988537] |
| Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] | ||||||||
| ChEMBL | Antagonist activity at ER (unknown origin) by Alpha Screen assay | B | 4.21 | pIC50 | 62000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at ER (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Glucocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150] | ||||||||
| ChEMBL | Inhibitory concentration against Glucocorticoid receptor | B | 6.65 | pKi | 224 | nM | Ki | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Antagonist activity at GR (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Inhibitory concentration against Glucocorticoid receptor | B | 5.76 | pIC50 | 1740 | nM | IC50 | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Agonist activity at GR (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Liver X receptor-α/LXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133] | ||||||||
| ChEMBL | Antagonist activity at LXR alpha (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at LXR alpha (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Liver X receptor-β/LXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055] | ||||||||
| ChEMBL | Antagonist activity at LXR beta (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at LXR beta (unknown origin) by Alpha Screen assay | B | 5.44 | pEC50 | 3600 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Mineralocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1994] [GtoPdb: 626] [UniProtKB: P08235] | ||||||||
| ChEMBL | Inhibitory concentration against Mineralocorticoid receptor | B | 7.41 | pKi | 39 | nM | Ki | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Inhibitory concentration against Mineralocorticoid receptor | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Antagonist activity at MR (unknown origin) by Alpha Screen assay | B | 6.49 | pIC50 | 320 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at MR (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL239] [GtoPdb: 593] [UniProtKB: Q07869] | ||||||||
| ChEMBL | Antagonist activity at PPARalpha (unknown origin) by Alpha Screen assay | B | 4.7 | pIC50 | 20000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at PPARalpha (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Peroxisome proliferator-activated receptor-β/δ/Peroxisome proliferator-activated receptor delta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3979] [GtoPdb: 594] [UniProtKB: Q03181] | ||||||||
| ChEMBL | Antagonist activity at PPARdelta (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at PPARdelta (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| ChEMBL | Antagonist activity at PPARgamma (unknown origin) by Alpha Screen assay | B | 4.57 | pIC50 | 27000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at PPARgamma (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Pregnane X receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3401] [GtoPdb: 606] [UniProtKB: O75469] | ||||||||
| ChEMBL | Antagonist activity at PXR (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Inhibitory concentration against Pregnane X receptor | B | 8.62 | pIC50 | 2.4 | nM | IC50 | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Agonist activity at PXR (unknown origin) by Alpha Screen assay | B | 5.6 | pEC50 | 2500 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Progesterone receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL208] [GtoPdb: 627] [UniProtKB: P06401] | ||||||||
| ChEMBL | Inhibitory concentration against Progesterone receptor | B | 6.7 | pKi | 201 | nM | Ki | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Antagonist activity at PR (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Inhibitory concentration against Progesterone receptor | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2005) 48: 6948-6955 [PMID:16250653] |
| ChEMBL | Agonist activity at PR (unknown origin) by Alpha Screen assay | B | 5.72 | pEC50 | 1900 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793] | ||||||||
| ChEMBL | Antagonist activity at RXRalpha (unknown origin) by Alpha Screen assay | B | 4.48 | pIC50 | 33000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at RXRalpha (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Thyroid hormone receptor-α/Thyroid hormone receptor-β/Thyroid hormone receptor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111462] [GtoPdb: 588, 589] [UniProtKB: P10827, P10828] | ||||||||
| ChEMBL | Antagonist activity at TR (unknown origin) by Alpha Screen assay | B | 4 | pIC50 | >100000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at TR (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| Vitamin D receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473] | ||||||||
| ChEMBL | Antagonist activity at VDR (unknown origin) by Alpha Screen assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at VDR (unknown origin) by Alpha Screen assay | B | 4 | pEC50 | >100000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
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]
