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Assay Detail

CHEMBL965361

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

ADMET
Inhibition of CYP2D6
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Potent and selective small-molecule human urotensin-II antagonists with improved pharmacokinetic profiles.
McAtee JJ, Dodson JW, Dowdell SE, Erhard K, Girard GR, Goodman KB, Hilfiker MA, Jin J, Sehon CA, Sha D, Shi D, Wang F, Wang GZ, Wang N, Wang Y, Viet AQ, Yuan CC, Zhang D, Aiyar NV, Behm DJ, Carballo LH, Evans CA, Fries HE, Nagilla R, Roethke TJ, Xu X, Douglas SA, Neeb MJ.
Bioorg Med Chem Lett (2008) 18 : 3716 -3719
PubMed 18524591 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 5.02 6.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL527199 1 6.80
CHEMBL254356 1 6.12
CHEMBL453587 1 5.46
CHEMBL488642 1 5.23
CHEMBL453067 1 5.21
CHEMBL452298 1 4.80
CHEMBL453329 1 4.77
CHEMBL449192 1 4.52
CHEMBL507691 1 4.48
CHEMBL499582 1 4.48
CHEMBL452808 1 4.48
CHEMBL453075 1 4.48
CHEMBL453074 1 4.48

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL527199 IC50 = 160.0 nM 6.80
CHEMBL254356 IC50 = 750.0 nM 6.12
CHEMBL453587 IC50 = 3500.0 nM 5.46
CHEMBL488642 IC50 = 5900.0 nM 5.23
CHEMBL453067 IC50 = 6200.0 nM 5.21
CHEMBL452298 IC50 = 16000.0 nM 4.80
CHEMBL453329 IC50 = 17000.0 nM 4.77
CHEMBL449192 IC50 = 30000.0 nM 4.52
CHEMBL507691 IC50 = 33000.0 nM 4.48
CHEMBL499582 IC50 = 33000.0 nM 4.48
CHEMBL452808 IC50 = 33000.0 nM 4.48
CHEMBL453075 IC50 = 33000.0 nM 4.48
CHEMBL453074 IC50 = 33000.0 nM 4.48