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Assay Detail

CHEMBL4151884

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

Binding
Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat (258 to 518 residues) incubated for 16 hrs by scintillation proximity assay
39
Total Activities
39
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Potent and Orally Bioavailable Inverse Agonists of RORγt Resulting from Structure-Based Design.
Narjes F, Xue Y, von Berg S, Malmberg J, Llinas A, Olsson RI, Jirholt J, Grindebacke H, Leffler A, Hossain N, Lepistö M, Thunberg L, Leek H, Aagaard A, McPheat J, Hansson EL, Bäck E, Tångefjord S, Chen R, Xiong Y, Hongbin G, Hansson TG.
J Med Chem (2018) 61 : 7796 -7813
PubMed 30095900 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 39 7.41 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4167096 1 8.70
CHEMBL3105692 1 8.70
CHEMBL4159819 1 8.52
CHEMBL4176887 1 8.22
CHEMBL4173908 1 8.15
CHEMBL4163193 1 8.15
CHEMBL4163215 1 8.15
CHEMBL3105681 1 8.05
CHEMBL4168496 1 8.05
CHEMBL4166982 1 8.00
CHEMBL4160227 1 7.96
CHEMBL4174976 1 7.85
CHEMBL4168454 1 7.85
CHEMBL4175680 1 7.77
CHEMBL4167788 1 7.75
CHEMBL4159082 1 7.72
CHEMBL4176822 1 7.70
CHEMBL4173467 1 7.70
CHEMBL4159395 1 7.70
CHEMBL4165060 1 7.54
CHEMBL4161696 1 7.52
CHEMBL4170500 1 7.48
CHEMBL4167413 1 7.34
CHEMBL4165905 1 7.30
CHEMBL4176513 1 7.30
CHEMBL4175289 1 7.23
CHEMBL4169028 1 7.18
CHEMBL4173025 1 7.16
CHEMBL4171536 1 7.12
CHEMBL4174263 1 7.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4167096 IC50 = 2.0 nM 8.70
CHEMBL3105692 IC50 = 2.0 nM 8.70
CHEMBL4159819 IC50 = 3.0 nM 8.52
CHEMBL4176887 IC50 = 6.0 nM 8.22
CHEMBL4173908 IC50 = 7.0 nM 8.15
CHEMBL4163193 IC50 = 7.0 nM 8.15
CHEMBL4163215 IC50 = 7.0 nM 8.15
CHEMBL3105681 IC50 = 9.0 nM 8.05
CHEMBL4168496 IC50 = 9.0 nM 8.05
CHEMBL4166982 IC50 = 10.0 nM 8.00
CHEMBL4160227 IC50 = 11.0 nM 7.96
CHEMBL4174976 IC50 = 14.0 nM 7.85
CHEMBL4168454 IC50 = 14.0 nM 7.85
CHEMBL4175680 IC50 = 17.0 nM 7.77
CHEMBL4167788 IC50 = 18.0 nM 7.75
CHEMBL4159082 IC50 = 19.0 nM 7.72
CHEMBL4176822 IC50 = 20.0 nM 7.70
CHEMBL4173467 IC50 = 20.0 nM 7.70
CHEMBL4159395 IC50 = 20.0 nM 7.70
CHEMBL4165060 IC50 = 29.0 nM 7.54
CHEMBL4161696 IC50 = 30.0 nM 7.52
CHEMBL4170500 IC50 = 33.0 nM 7.48
CHEMBL4167413 IC50 = 46.0 nM 7.34
CHEMBL4165905 IC50 = 50.0 nM 7.30
CHEMBL4176513 IC50 = 50.0 nM 7.30
CHEMBL4175289 IC50 = 59.0 nM 7.23
CHEMBL4169028 IC50 = 66.0 nM 7.18
CHEMBL4173025 IC50 = 70.0 nM 7.16
CHEMBL4171536 IC50 = 75.0 nM 7.12
CHEMBL4174263 IC50 = 88.0 nM 7.06
CHEMBL4161408 IC50 = 110.0 nM 6.96
CHEMBL4170357 IC50 = 150.0 nM 6.82
CHEMBL4170472 IC50 = 270.0 nM 6.57
CHEMBL4165121 IC50 = 340.0 nM 6.47
CHEMBL4162759 IC50 = 410.0 nM 6.39
CHEMBL4170027 IC50 = 1160.0 nM 5.94
CHEMBL4169629 IC50 = 1290.0 nM 5.89
CHEMBL4166203 IC50 = 1850.0 nM 5.73
CHEMBL4171845 IC50 = 3250.0 nM 5.49