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Assay Detail

CHEMBL4182853

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inverse agonist activity at Gal4-tagged human RORgammat ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
38
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Jurkat
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Nuclear receptor ROR-gamma (CHEMBL1741186)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (RORγ/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Gong H, Weinstein DS, Lu Z, Duan JJ, Stachura S, Haque L, Karmakar A, Hemagiri H, Raut DK, Gupta AK, Khan J, Camac D, Sack JS, Pudzianowski A, Wu DR, Yarde M, Shen DR, Borowski V, Xie JH, Sun H, D'Arienzo C, Dabros M, Galella MA, Wang F, Weigelt CA, Zhao Q, Foster W, Somerville JE, Salter-Cid LM, Barrish JC, Carter PH, Dhar TGM.
Bioorg Med Chem Lett (2018) 28 : 85 -93
PubMed 29233651 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 38 6.69 7.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4214210 1 7.92
CHEMBL4211051 2 7.82
CHEMBL4215334 1 7.82
CHEMBL4216643 1 7.55
CHEMBL4214711 1 7.51
CHEMBL4206368 3 7.50
CHEMBL4212978 1 7.41
CHEMBL4214055 1 7.33
CHEMBL4205428 1 7.24
CHEMBL4218626 1 7.10
CHEMBL4209091 1 7.08
CHEMBL4217890 1 7.03
CHEMBL4209808 1 6.94
CHEMBL4210034 1 6.78
CHEMBL4210791 1 6.78
CHEMBL4217418 1 6.77
CHEMBL4206170 1 6.77
CHEMBL4209665 1 6.71
CHEMBL4212995 1 6.69
CHEMBL4214020 1 6.65
CHEMBL4212014 1 6.64
CHEMBL4213493 1 6.62
CHEMBL4212458 1 6.55
CHEMBL62136 T091317 1 6.48
CHEMBL4210530 1 6.28
CHEMBL4208087 1 6.22
CHEMBL4206412 1 6.09
CHEMBL4207135 1 5.90
CHEMBL4213534 1 5.79
CHEMBL4211266 1 5.69

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4214210 EC50 = 12.0 nM 7.92
CHEMBL4211051 EC50 = 15.0 nM 7.82
CHEMBL4215334 EC50 = 15.0 nM 7.82
CHEMBL4216643 EC50 = 28.0 nM 7.55
CHEMBL4214711 EC50 = 31.0 nM 7.51
CHEMBL4206368 EC50 = 32.0 nM 7.50
CHEMBL4212978 EC50 = 39.0 nM 7.41
CHEMBL4214055 EC50 = 47.0 nM 7.33
CHEMBL4205428 EC50 = 58.0 nM 7.24
CHEMBL4218626 EC50 = 80.0 nM 7.10
CHEMBL4209091 EC50 = 84.0 nM 7.08
CHEMBL4217890 EC50 = 93.0 nM 7.03
CHEMBL4206368 EC50 = 97.0 nM 7.01
CHEMBL4209808 EC50 = 114.0 nM 6.94
CHEMBL4210034 EC50 = 165.0 nM 6.78
CHEMBL4210791 EC50 = 165.0 nM 6.78
CHEMBL4217418 EC50 = 170.0 nM 6.77
CHEMBL4206170 EC50 = 170.0 nM 6.77
CHEMBL4209665 EC50 = 195.0 nM 6.71
CHEMBL4212995 EC50 = 203.0 nM 6.69
CHEMBL4214020 EC50 = 225.0 nM 6.65
CHEMBL4212014 EC50 = 230.0 nM 6.64
CHEMBL4213493 EC50 = 240.0 nM 6.62
CHEMBL4212458 EC50 = 280.0 nM 6.55
CHEMBL62136 T091317 EC50 = 333.0 nM 6.48
CHEMBL4210530 EC50 = 530.0 nM 6.28
CHEMBL4208087 EC50 = 600.0 nM 6.22
CHEMBL4206412 EC50 = 815.0 nM 6.09
CHEMBL4207135 EC50 = 1260.0 nM 5.90
CHEMBL4211051 EC50 = 1530.0 nM 5.82
CHEMBL4213534 EC50 = 1640.0 nM 5.79
CHEMBL4211266 EC50 = 2040.0 nM 5.69
CHEMBL4218423 EC50 = 2780.0 nM 5.56
CHEMBL4206368 EC50 = 7380.0 nM 5.13
CHEMBL4204747 EC50 = 7500.0 nM 5.12
CHEMBL4203724 EC50 > 10000.0 nM -
CHEMBL4205663 EC50 > 10000.0 nM -
CHEMBL4208603 EC50 > 10000.0 nM -