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Assay Detail

CHEMBL1219277

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

Binding
Inhibition of human CYP17 expressed in Escherichia coli
30
Total Activities
30
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

Steroid 17-alpha-hydroxylase/17,20 lyase (CHEMBL3522)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer.
Hu Q, Jagusch C, Hille UE, Haupenthal J, Hartmann RW.
J Med Chem (2010) 53 : 5749 -5758
PubMed 20684610 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 6.25 7.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1172779 1 7.28
CHEMBL254328 ABIRATERONE 3.0 1 7.14
CHEMBL1172882 1 7.01
CHEMBL1173260 1 6.73
CHEMBL1171987 1 6.65
CHEMBL1215664 1 6.61
CHEMBL1173327 1 6.47
CHEMBL1215732 1 6.41
CHEMBL1215665 1 6.39
CHEMBL1214739 1 6.36
CHEMBL1214735 1 6.24
CHEMBL1214660 1 6.22
CHEMBL1214736 1 6.19
CHEMBL1214737 1 6.12
CHEMBL1215730 1 6.06
CHEMBL1214662 1 5.86
CHEMBL1215596 1 5.79
CHEMBL1215731 1 5.75
CHEMBL1214738 1 5.70
CHEMBL157101 KETOCONAZOLE 4.0 1 5.56
CHEMBL1214661 1 5.48
CHEMBL1215663 1 5.39
CHEMBL1215729 1 -
CHEMBL1214734 1 -
CHEMBL1214664 1 -
CHEMBL1214663 1 -
CHEMBL551254 1 -
CHEMBL934 METYRAPONE 4.0 1 -
CHEMBL1215662 1 -
CHEMBL1215595 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1172779 IC50 = 52.0 nM 7.28
CHEMBL254328 ABIRATERONE IC50 = 72.0 nM 7.14
CHEMBL1172882 IC50 = 97.0 nM 7.01
CHEMBL1173260 IC50 = 186.0 nM 6.73
CHEMBL1171987 IC50 = 226.0 nM 6.65
CHEMBL1215664 IC50 = 248.0 nM 6.61
CHEMBL1173327 IC50 = 337.0 nM 6.47
CHEMBL1215732 IC50 = 386.0 nM 6.41
CHEMBL1215665 IC50 = 408.0 nM 6.39
CHEMBL1214739 IC50 = 438.0 nM 6.36
CHEMBL1214735 IC50 = 577.0 nM 6.24
CHEMBL1214660 IC50 = 598.0 nM 6.22
CHEMBL1214736 IC50 = 647.0 nM 6.19
CHEMBL1214737 IC50 = 760.0 nM 6.12
CHEMBL1215730 IC50 = 876.0 nM 6.06
CHEMBL1214662 IC50 = 1370.0 nM 5.86
CHEMBL1215596 IC50 = 1610.0 nM 5.79
CHEMBL1215731 IC50 = 1790.0 nM 5.75
CHEMBL1214738 IC50 = 2000.0 nM 5.70
CHEMBL157101 KETOCONAZOLE IC50 = 2780.0 nM 5.56
CHEMBL1214661 IC50 = 3340.0 nM 5.48
CHEMBL1215663 IC50 = 4040.0 nM 5.39
CHEMBL1215729 IC50 > 5000.0 nM -
CHEMBL1214734 IC50 > 10000.0 nM -
CHEMBL1214664 IC50 > 10000.0 nM -
CHEMBL1214663 IC50 > 10000.0 nM -
CHEMBL551254 IC50 > 5000.0 nM -
CHEMBL934 METYRAPONE IC50 > 10000.0 nM -
CHEMBL1215662 IC50 > 5000.0 nM -
CHEMBL1215595 IC50 > 5000.0 nM -