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Assay Detail

CHEMBL4623384

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

Binding
Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assay
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Discovery and optimization of new oxadiazole substituted thiazole RORγt inverse agonists through a bioisosteric amide replacement approach.
Steeneck C, Gege C, Kinzel O, Albers M, Kleymann G, Schlüter T, Schulz A, Xue X, Cummings MD, Fourie AM, Leonard KA, Scott B, Edwards JP, Hoffmann T, Goldberg SD.
Bioorg Med Chem Lett (2020) 30 : 127174 -127174
PubMed 32334912 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 29 8.93 10.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4642631 1 10.52
CHEMBL4637144 1 10.40
CHEMBL4647899 1 10.30
CHEMBL4633899 1 10.15
CHEMBL4128926 1 9.92
CHEMBL4641138 1 9.57
CHEMBL4642674 1 9.52
CHEMBL4642450 1 9.46
CHEMBL4647734 1 9.44
CHEMBL4632527 1 9.41
CHEMBL4645288 1 9.30
CHEMBL4649427 1 9.15
CHEMBL4648607 1 9.09
CHEMBL4129202 1 8.96
CHEMBL4633325 1 8.82
CHEMBL4649210 1 8.82
CHEMBL4636398 1 8.77
CHEMBL4637003 1 8.70
CHEMBL4641039 1 8.64
CHEMBL4649094 1 8.57
CHEMBL4642733 1 8.49
CHEMBL4634974 1 8.41
CHEMBL4634072 1 8.37
CHEMBL4648849 1 8.30
CHEMBL4649863 1 8.19
CHEMBL4645942 1 8.06
CHEMBL4644116 1 7.96
CHEMBL4632490 1 4.85
CHEMBL4635823 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4642631 Kd = 0.03 nM 10.52
CHEMBL4637144 Kd = 0.04 nM 10.40
CHEMBL4647899 Kd = 0.05 nM 10.30
CHEMBL4633899 Kd = 0.07 nM 10.15
CHEMBL4128926 Kd = 0.12 nM 9.92
CHEMBL4641138 Kd = 0.27 nM 9.57
CHEMBL4642674 Kd = 0.3 nM 9.52
CHEMBL4642450 Kd = 0.35 nM 9.46
CHEMBL4647734 Kd = 0.36 nM 9.44
CHEMBL4632527 Kd = 0.39 nM 9.41
CHEMBL4645288 Kd = 0.5 nM 9.30
CHEMBL4649427 Kd = 0.7 nM 9.15
CHEMBL4648607 Kd = 0.82 nM 9.09
CHEMBL4129202 Kd = 1.1 nM 8.96
CHEMBL4633325 Kd = 1.5 nM 8.82
CHEMBL4649210 Kd = 1.5 nM 8.82
CHEMBL4636398 Kd = 1.7 nM 8.77
CHEMBL4637003 Kd = 2.0 nM 8.70
CHEMBL4641039 Kd = 2.3 nM 8.64
CHEMBL4649094 Kd = 2.7 nM 8.57
CHEMBL4642733 Kd = 3.2 nM 8.49
CHEMBL4634974 Kd = 3.9 nM 8.41
CHEMBL4634072 Kd = 4.3 nM 8.37
CHEMBL4648849 Kd = 5.0 nM 8.30
CHEMBL4649863 Kd = 6.5 nM 8.19
CHEMBL4645942 Kd = 8.7 nM 8.06
CHEMBL4644116 Kd = 11.0 nM 7.96
CHEMBL4632490 Kd = 14169.0 nM 4.85
CHEMBL4635823 Kd = 0.003 nM -