BMS-852927 [Ligand Id: 14079] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3945199 (Bms-852927, EXEL-04541041, XL-041, XL-652) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Pregnane X receptor/Nuclear receptor subfamily 1 group I member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3401] [GtoPdb: 606] [UniProtKB: O75469] | ||||||||
| ChEMBL | Agonist activity at human PXR expressed in human HepG2 cells assessed as induction of CYP3A4 measured after 24 hrs by AlamarBlue dye-based luciferase reporter gene assay | B | 6 | pEC50 | 1000 | nM | EC50 | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| Liver X receptor-α/Oxysterols receptor LXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133] | ||||||||
| ChEMBL | Antagonist activity at human LXR-alpha expressed in African green monkey CV1 cells measured after 18 to 20 hrs in presence of LXR pan agonist 1-(2,4-difluorobenzyl)-2-oxo-6-(4-phenoxyphenyl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile by luciferase reporter gene assay | B | 7.16 | pIC50 | 69 | nM | IC50 | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| ChEMBL | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing assay (LiSA) described in Spencer et al. Journal of Medicinal Chemistry 2001, 44, 886-897, incorporated herein by reference. In some embodiments, the LXR agonist has an EC50 of less than 1 μM in the ligand sensing assay (e.g., 0.5 nm to 500 nM, 10 nM to 100 nM). For example, the methods of the invention can be performed using an LXRβ agonist having activity for LXRβ that is at least 3-fold greater than the activity of the agonist for LXRα, or having activity for LXRβ that is at least 10-fold greater than the activity of the agonist for LXRα, or having activity for LXRβ that is at least 100-fold greater than the activity of said agonist for LXRα, or having activity for LXRβ that is at least within 3-fold of the activity of the agonist for LXRα. The term greater activity in the LiSA assay assay refers to a lower EC50. For example, GW3965 2 has approximately 6-fold greater activity for LXRβ (EC50=30) compared to LXRα (EC50=190). | B | 7 | pEC50 | <100 | nM | EC50 | US-10543183-B2. Treatment and diagnosis of melanoma (2020) |
| ChEMBL | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing assay (LiSA) described in Spencer et al. Journal of Medicinal Chemistry 2001, 44, 886-897, incorporated herein by reference. | B | 7 | pEC50 | <100 | nM | EC50 | US-10945978-B2. Treatment and diagnosis of melanoma (2021) |
| Liver X receptor-β/Oxysterols receptor LXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055] | ||||||||
| ChEMBL | Agonist activity at human LXR-beta expressed in African green monkey CV1 cells measured after 18 to 20 hrs by luciferase reporter gene assay | B | 7.62 | pEC50 | 24 | nM | EC50 | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| ChEMBL | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing assay (LiSA) described in Spencer et al. Journal of Medicinal Chemistry 2001, 44, 886-897, incorporated herein by reference. In some embodiments, the LXR agonist has an EC50 of less than 1 μM in the ligand sensing assay (e.g., 0.5 nm to 500 nM, 10 nM to 100 nM). For example, the methods of the invention can be performed using an LXRβ agonist having activity for LXRβ that is at least 3-fold greater than the activity of the agonist for LXRα, or having activity for LXRβ that is at least 10-fold greater than the activity of the agonist for LXRα, or having activity for LXRβ that is at least 100-fold greater than the activity of said agonist for LXRα, or having activity for LXRβ that is at least within 3-fold of the activity of the agonist for LXRα. The term greater activity in the LiSA assay assay refers to a lower EC50. For example, GW3965 2 has approximately 6-fold greater activity for LXRβ (EC50=30) compared to LXRα (EC50=190). | B | 7.96 | pEC50 | 11 | nM | EC50 | US-10543183-B2. Treatment and diagnosis of melanoma (2020) |
| ChEMBL | ligand sensing assay (LiSA): As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing assay (LiSA) described in Spencer et al. Journal of Medicinal Chemistry 2001, 44, 886-897, incorporated herein by reference. | B | 7.96 | pEC50 | 11 | nM | EC50 | US-10945978-B2. Treatment and diagnosis of melanoma (2021) |
| ChEMBL | Agonist activity at LXR-beta in human whole blood assessed as ABCG1 gene induction by measuring ABCA1 mRNA level after 4 hrs by SYBR-Green dye-based Q-PCR analysis | B | 8 | pEC50 | 10 | nM | EC50 | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| ChEMBL | Agonist activity at LXR-beta in human whole blood assessed as ABCA1 gene induction by measuring ABCA1 mRNA level after 4 hrs by SYBR-Green dye-based Q-PCR analysis | B | 8.05 | pEC50 | 9 | nM | EC50 | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| GtoPdb | - | - | 8.05 | pEC50 | 9 | nM | EC50 | Cell Metab (2016) 24: 223-33 [PMID:27508871] |
| ChEMBL | Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay | B | 9.22 | pEC50 | 0.6 | nM | EC50 | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| Retinoid X receptor-α/Liver X receptor-α/Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3430879] [GtoPdb: 610, 602] [UniProtKB: P19793, Q13133] | ||||||||
| ChEMBL | Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analysis | B | 7.72 | pKi | 19 | nM | Ki | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| Retinoid X receptor-α/Liver X receptor-β/Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3430878] [GtoPdb: 610, 601] [UniProtKB: P19793, P55055] | ||||||||
| ChEMBL | Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analysis | B | 7.92 | pKi | 12 | nM | Ki | ACS Med Chem Lett (2016) 7: 1207-1212 [PMID:27994765] |
| GtoPdb | - | - | 8.05 | pEC50 | 9 | nM | EC50 | Cell Metab (2016) 24: 223-33 [PMID:27508871] |
ChEMBL data shown on this page come from version 36:
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]
