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Assay Detail

CHEMBL2176191

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ADMET
Inhibition of CYP3A4
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

Novel β-amino acid derivatives as inhibitors of cathepsin A.
Ruf S, Buning C, Schreuder H, Horstick G, Linz W, Olpp T, Pernerstorfer J, Hiss K, Kroll K, Kannt A, Kohlmann M, Linz D, Hübschle T, Rütten H, Wirth K, Schmidt T, Sadowski T.
J Med Chem (2012) 55 : 7636 -7649
PubMed 22861813 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 7.66 7.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2171398 1 7.82
CHEMBL2171397 1 7.82
CHEMBL2171396 1 7.58
CHEMBL3145341 1 7.42

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2171398 IC50 = 15.0 nM 7.82
CHEMBL2171397 IC50 = 15.0 nM 7.82
CHEMBL2171396 IC50 = 26.0 nM 7.58
CHEMBL3145341 IC50 = 38.0 nM 7.42