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Assay Detail

CHEMBL1764271

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

ADMET
Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high throughput mass spectrometry preincubated for 30 mins in presence of NADPH
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Tissue Liver
Subcellular Microsome
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The discovery and synthesis of potent zwitterionic inhibitors of renin.
Aspiotis R, Chen A, Cauchon E, Dubé D, Falgueyret JP, Gagné S, Gallant M, Grimm EL, Houle R, Juteau H, Lacombe P, Laliberté S, Lévesque JF, MacDonald D, McKay D, Percival MD, Roy P, Soisson SM, Wu T.
Bioorg Med Chem Lett (2011) 21 : 2430 -2436
PubMed 21429746 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.69 5.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1761524 1 5.85
CHEMBL1761518 1 5.85
CHEMBL1761520 1 5.85
CHEMBL1761521 1 5.80
CHEMBL1761519 1 5.62
CHEMBL1761522 1 5.62
CHEMBL1761523 1 5.25
CHEMBL1761525 1 -
CHEMBL1761530 1 -
CHEMBL1761531 1 -
CHEMBL1761532 1 -
CHEMBL1761533 1 -
CHEMBL1761534 1 -
CHEMBL1761535 1 -
CHEMBL1761536 1 -
CHEMBL1761673 1 -
CHEMBL1761674 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1761524 IC50 = 1400.0 nM 5.85
CHEMBL1761518 IC50 = 1400.0 nM 5.85
CHEMBL1761520 IC50 = 1400.0 nM 5.85
CHEMBL1761521 IC50 = 1600.0 nM 5.80
CHEMBL1761519 IC50 = 2400.0 nM 5.62
CHEMBL1761522 IC50 = 2400.0 nM 5.62
CHEMBL1761523 IC50 = 5600.0 nM 5.25
CHEMBL1761525 IC50 > 50000.0 nM -
CHEMBL1761530 IC50 > 50000.0 nM -
CHEMBL1761531 IC50 > 50000.0 nM -
CHEMBL1761532 IC50 > 50000.0 nM -
CHEMBL1761533 IC50 > 50000.0 nM -
CHEMBL1761534 IC50 > 50000.0 nM -
CHEMBL1761535 IC50 > 50000.0 nM -
CHEMBL1761536 IC50 > 50000.0 nM -
CHEMBL1761673 IC50 > 50000.0 nM -
CHEMBL1761674 IC50 > 50000.0 nM -