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Assay Detail

CHEMBL3369890

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

Binding
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 25 mins by HPLC method
37
Total Activities
22
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Publication

Small-molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): synthesis and biological evaluation.
Ferla S, Aboraia AS, Brancale A, Pepper CJ, Zhu J, Ochalek JT, DeLuca HF, Simons C.
J Med Chem (2014) 57 : 7702 -7715
PubMed 25148392 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 6.61 8.64
Ki 18 7.39 8.11

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL389433 LIAROZOLE 2.0 1 8.64
CHEMBL389014 1 8.19
CHEMBL3329769 2 8.11
CHEMBL3329770 2 8.01
CHEMBL3329774 2 7.96
CHEMBL3329778 2 7.89
CHEMBL1170908 1 7.82
CHEMBL3329767 2 7.72
CHEMBL3360784 1 7.68
CHEMBL3329768 2 7.62
CHEMBL2105705 LUNACALCIPOL 2.0 1 7.57
CHEMBL1171494 2 7.55
CHEMBL157101 KETOCONAZOLE 4.0 2 7.48
CHEMBL3329771 2 7.44
CHEMBL3360783 1 7.41
CHEMBL3329779 2 7.38
CHEMBL3360785 1 7.38
CHEMBL3329772 2 7.04
CHEMBL3329773 2 6.82
CHEMBL3329777 2 6.68
CHEMBL3329776 2 6.42
CHEMBL3329775 2 6.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL389433 LIAROZOLE IC50 = 2.3 nM 8.64
CHEMBL389014 IC50 = 6.5 nM 8.19
CHEMBL3329769 Ki = 7.8 nM 8.11
CHEMBL3329770 Ki = 9.7 nM 8.01
CHEMBL3329774 Ki = 11.0 nM 7.96
CHEMBL3329778 Ki = 13.0 nM 7.89
CHEMBL1170908 IC50 = 15.0 nM 7.82
CHEMBL3329767 Ki = 19.0 nM 7.72
CHEMBL3360784 Ki = 21.0 nM 7.68
CHEMBL3329768 Ki = 24.0 nM 7.62
CHEMBL2105705 LUNACALCIPOL IC50 = 27.0 nM 7.57
CHEMBL1171494 Ki = 28.0 nM 7.55
CHEMBL157101 KETOCONAZOLE Ki = 33.0 nM 7.48
CHEMBL3329771 Ki = 36.0 nM 7.44
CHEMBL3360783 Ki = 39.0 nM 7.41
CHEMBL3329779 Ki = 42.0 nM 7.38
CHEMBL3360785 Ki = 42.0 nM 7.38
CHEMBL3329772 Ki = 91.0 nM 7.04
CHEMBL3329769 IC50 = 110.0 nM 6.96
CHEMBL3329770 IC50 = 140.0 nM 6.85
CHEMBL3329773 Ki = 150.0 nM 6.82
CHEMBL3329774 IC50 = 160.0 nM 6.80
CHEMBL3329778 IC50 = 180.0 nM 6.75
CHEMBL3329777 Ki = 210.0 nM 6.68
CHEMBL3329767 IC50 = 260.0 nM 6.58
CHEMBL3329768 IC50 = 340.0 nM 6.47
CHEMBL3329776 Ki = 380.0 nM 6.42
CHEMBL3329775 Ki = 400.0 nM 6.40
CHEMBL1171494 IC50 = 400.0 nM 6.40
CHEMBL157101 KETOCONAZOLE IC50 = 470.0 nM 6.33
CHEMBL3329771 IC50 = 510.0 nM 6.29
CHEMBL3329779 IC50 = 600.0 nM 6.22
CHEMBL3329772 IC50 = 1300.0 nM 5.89
CHEMBL3329773 IC50 = 2100.0 nM 5.68
CHEMBL3329777 IC50 = 2900.0 nM 5.54
CHEMBL3329776 IC50 = 5400.0 nM 5.27
CHEMBL3329775 IC50 = 5600.0 nM 5.25