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Assay Detail

CHEMBL921646

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

ADMET
Inhibition of CYP2D6
17
Total Activities
17
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 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Development of potent and selective small-molecule human Urotensin-II antagonists.
McAtee JJ, Dodson JW, Dowdell SE, Girard GR, Goodman KB, Hilfiker MA, Sehon CA, Sha D, Wang GZ, Wang N, Viet AQ, Zhang D, Aiyar NV, Behm DJ, Carballo LH, Evans CA, Fries HE, Nagilla R, Roethke TJ, Xu X, Yuan CC, Douglas SA, Neeb MJ.
Bioorg Med Chem Lett (2008) 18 : 3500 -3503
PubMed 18502123 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.49 6.12

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL254356 1 6.12
CHEMBL256937 1 6.09
CHEMBL255509 1 5.80
CHEMBL255462 1 5.77
CHEMBL257150 1 5.66
CHEMBL402805 1 5.64
CHEMBL257767 1 5.64
CHEMBL256989 1 5.54
CHEMBL402813 1 5.50
CHEMBL404289 1 5.46
CHEMBL258251 1 5.43
CHEMBL402520 1 5.32
CHEMBL257171 1 5.29
CHEMBL256721 1 5.17
CHEMBL255460 1 5.10
CHEMBL257415 1 5.08
CHEMBL256988 1 4.68

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL254356 IC50 = 750.0 nM 6.12
CHEMBL256937 IC50 = 820.0 nM 6.09
CHEMBL255509 IC50 = 1600.0 nM 5.80
CHEMBL255462 IC50 = 1700.0 nM 5.77
CHEMBL257150 IC50 = 2200.0 nM 5.66
CHEMBL402805 IC50 = 2300.0 nM 5.64
CHEMBL257767 IC50 = 2300.0 nM 5.64
CHEMBL256989 IC50 = 2900.0 nM 5.54
CHEMBL402813 IC50 = 3200.0 nM 5.50
CHEMBL404289 IC50 = 3500.0 nM 5.46
CHEMBL258251 IC50 = 3700.0 nM 5.43
CHEMBL402520 IC50 = 4800.0 nM 5.32
CHEMBL257171 IC50 = 5100.0 nM 5.29
CHEMBL256721 IC50 = 6700.0 nM 5.17
CHEMBL255460 IC50 = 8000.0 nM 5.10
CHEMBL257415 IC50 = 8400.0 nM 5.08
CHEMBL256988 IC50 = 21000.0 nM 4.68