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Assay Detail

CHEMBL3825918

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

Binding
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid assay
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Bile acid receptor (CHEMBL2047)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Novel substituted isoxazole FXR agonists with cyclopropyl, hydroxycyclobutyl and hydroxyazetidinyl linkers: Understanding and improving key determinants of pharmacological properties.
Kinzel O, Steeneck C, Schlüter T, Schulz A, Gege C, Hahn U, Hambruch E, Hornberger M, Spalwisz A, Frick K, Perović-Ottstadt S, Deuschle U, Burnet M, Kremoser C.
Bioorg Med Chem Lett (2016) 26 : 3746 -3753
PubMed 27268696 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 28 7.21 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3822755 1 8.40
CHEMBL3822798 1 8.22
CHEMBL3824163 1 7.85
CHEMBL3824337 1 7.85
CHEMBL3822859 1 7.82
CHEMBL3822901 1 7.60
CHEMBL3824162 1 7.54
CHEMBL3822597 1 7.47
CHEMBL318457 1 7.46
CHEMBL3823213 1 7.36
CHEMBL3823077 1 7.36
CHEMBL3822464 1 7.33
CHEMBL3822477 1 7.30
CHEMBL3823070 1 7.24
CHEMBL3823938 1 7.20
CHEMBL3822803 1 7.12
CHEMBL3823564 1 7.07
CHEMBL3824077 1 7.05
CHEMBL3823491 1 7.04
CHEMBL3823637 1 6.99
CHEMBL3824207 1 6.96
CHEMBL3823312 1 6.96
CHEMBL3822773 PX-102 2.0 1 6.73
CHEMBL3822935 1 6.68
CHEMBL3823688 1 6.66
CHEMBL3823467 1 6.42
CHEMBL3823517 1 6.26
CHEMBL3822953 1 5.86

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3822755 EC50 = 4.0 nM 8.40
CHEMBL3822798 EC50 = 6.0 nM 8.22
CHEMBL3824163 EC50 = 14.0 nM 7.85
CHEMBL3824337 EC50 = 14.0 nM 7.85
CHEMBL3822859 EC50 = 15.0 nM 7.82
CHEMBL3822901 EC50 = 25.0 nM 7.60
CHEMBL3824162 EC50 = 29.0 nM 7.54
CHEMBL3822597 EC50 = 34.0 nM 7.47
CHEMBL318457 EC50 = 35.0 nM 7.46
CHEMBL3823213 EC50 = 44.0 nM 7.36
CHEMBL3823077 EC50 = 44.0 nM 7.36
CHEMBL3822464 EC50 = 47.0 nM 7.33
CHEMBL3822477 EC50 = 50.0 nM 7.30
CHEMBL3823070 EC50 = 57.0 nM 7.24
CHEMBL3823938 EC50 = 63.0 nM 7.20
CHEMBL3822803 EC50 = 76.0 nM 7.12
CHEMBL3823564 EC50 = 86.0 nM 7.07
CHEMBL3824077 EC50 = 90.0 nM 7.05
CHEMBL3823491 EC50 = 92.0 nM 7.04
CHEMBL3823637 EC50 = 102.0 nM 6.99
CHEMBL3824207 EC50 = 110.0 nM 6.96
CHEMBL3823312 EC50 = 111.0 nM 6.96
CHEMBL3822773 PX-102 EC50 = 186.0 nM 6.73
CHEMBL3822935 EC50 = 209.0 nM 6.68
CHEMBL3823688 EC50 = 220.0 nM 6.66
CHEMBL3823467 EC50 = 377.0 nM 6.42
CHEMBL3823517 EC50 = 552.0 nM 6.26
CHEMBL3822953 EC50 = 1372.0 nM 5.86