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Assay Detail

CHEMBL925068

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

ADMET
Inhibition of human recombinant CYP2D6
ChEMBL ↗
58
Total Activities
58
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

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

Publication

CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity.
Pruitt JR, Batt DG, Wacker DA, Bostrom LL, Booker SK, McLaughlin E, Houghton GC, Varnes JG, Christ DD, Covington M, Das AM, Davies P, Graden D, Kariv I, Orlovsky Y, Stowell NC, Vaddi KG, Wadman EA, Welch PK, Yeleswaram S, Solomon KA, Newton RC, Decicco CP, Carter PH, Ko SS.
Bioorg Med Chem Lett (2007) 17 : 2992 -2997
PubMed 17418570 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 58 5.99 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL400173 — — 1 8.00
CHEMBL250689 — — 1 7.52
CHEMBL250262 — — 1 7.30
CHEMBL251274 — — 1 7.22
CHEMBL249852 — — 1 7.10
CHEMBL402708 — — 1 7.10
CHEMBL404213 — — 1 7.00
CHEMBL250436 — — 1 6.85
CHEMBL251078 — — 1 6.80
CHEMBL400649 — — 1 6.77
CHEMBL251446 — — 1 6.77
CHEMBL363840 — — 1 6.68
CHEMBL195433 — — 1 6.62
CHEMBL400172 — — 1 6.47
CHEMBL404857 — — 1 6.39
CHEMBL404416 — — 1 6.36
CHEMBL251232 — — 1 6.31
CHEMBL249858 — — 1 6.30
CHEMBL400589 — — 1 6.26
CHEMBL250054 — — 1 6.24
CHEMBL253676 — — 1 6.17
CHEMBL251045 — — 1 6.13
CHEMBL428761 — — 1 6.11
CHEMBL251243 — — 1 6.10
CHEMBL399150 — — 1 6.09
CHEMBL249851 — — 1 6.04
CHEMBL251623 — — 1 6.04
CHEMBL439253 — — 1 5.96
CHEMBL399893 — — 1 5.96
CHEMBL249855 — — 1 5.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL400173 — IC50 = 10.0 nM 8.00
CHEMBL250689 — IC50 = 30.0 nM 7.52
CHEMBL250262 — IC50 = 50.0 nM 7.30
CHEMBL251274 — IC50 = 60.0 nM 7.22
CHEMBL249852 — IC50 = 80.0 nM 7.10
CHEMBL402708 — IC50 = 80.0 nM 7.10
CHEMBL404213 — IC50 = 100.0 nM 7.00
CHEMBL250436 — IC50 = 140.0 nM 6.85
CHEMBL251078 — IC50 = 160.0 nM 6.80
CHEMBL400649 — IC50 = 170.0 nM 6.77
CHEMBL251446 — IC50 = 170.0 nM 6.77
CHEMBL363840 — IC50 = 210.0 nM 6.68
CHEMBL195433 — IC50 = 240.0 nM 6.62
CHEMBL400172 — IC50 = 340.0 nM 6.47
CHEMBL404857 — IC50 = 410.0 nM 6.39
CHEMBL404416 — IC50 = 440.0 nM 6.36
CHEMBL251232 — IC50 = 490.0 nM 6.31
CHEMBL249858 — IC50 = 500.0 nM 6.30
CHEMBL400589 — IC50 = 550.0 nM 6.26
CHEMBL250054 — IC50 = 570.0 nM 6.24
CHEMBL253676 — IC50 = 680.0 nM 6.17
CHEMBL251045 — IC50 = 740.0 nM 6.13
CHEMBL428761 — IC50 = 780.0 nM 6.11
CHEMBL251243 — IC50 = 800.0 nM 6.10
CHEMBL399150 — IC50 = 810.0 nM 6.09
CHEMBL249851 — IC50 = 910.0 nM 6.04
CHEMBL251623 — IC50 = 920.0 nM 6.04
CHEMBL439253 — IC50 = 1100.0 nM 5.96
CHEMBL399893 — IC50 = 1100.0 nM 5.96
CHEMBL249855 — IC50 = 1200.0 nM 5.92
CHEMBL251275 — IC50 = 1200.0 nM 5.92
CHEMBL249857 — IC50 = 1200.0 nM 5.92
CHEMBL403742 — IC50 = 1200.0 nM 5.92
CHEMBL249854 — IC50 = 1300.0 nM 5.89
CHEMBL399133 — IC50 = 1400.0 nM 5.85
CHEMBL400588 — IC50 = 1400.0 nM 5.85
CHEMBL402707 — IC50 = 1500.0 nM 5.82
CHEMBL403743 — IC50 = 1800.0 nM 5.75
CHEMBL250437 — IC50 = 2000.0 nM 5.70
CHEMBL249057 — IC50 = 2100.0 nM 5.68
CHEMBL398889 — IC50 = 2200.0 nM 5.66
CHEMBL249060 — IC50 = 2200.0 nM 5.66
CHEMBL401160 — IC50 = 2800.0 nM 5.55
CHEMBL251044 — IC50 = 3300.0 nM 5.48
CHEMBL401115 — IC50 = 3900.0 nM 5.41
CHEMBL251622 — IC50 = 4300.0 nM 5.37
CHEMBL401159 — IC50 = 5100.0 nM 5.29
CHEMBL410959 — IC50 = 7400.0 nM 5.13
CHEMBL399088 — IC50 = 12000.0 nM 4.92
CHEMBL251220 — IC50 = 12000.0 nM 4.92