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Assay Detail

CHEMBL5737355

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

Binding
Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes
30
Total Activities
10
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof
(2021)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 4.78 5.34
kon 10 - -
k_off 10 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2443262 OLICERIDINE 4.0 3 5.34
CHEMBL5757634 3 5.28
CHEMBL5083403 3 4.90
CHEMBL5828732 3 4.76
CHEMBL5865602 3 4.75
CHEMBL5934477 3 4.71
CHEMBL6055562 3 4.63
CHEMBL5874951 3 4.61
CHEMBL5080554 3 4.45
CHEMBL5075300 3 4.33

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2443262 OLICERIDINE IC50 = 4600.0 nM 5.34
CHEMBL5757634 IC50 = 5300.0 nM 5.28
CHEMBL5083403 IC50 = 12700.0 nM 4.90
CHEMBL5828732 IC50 = 17300.0 nM 4.76
CHEMBL5865602 IC50 = 17800.0 nM 4.75
CHEMBL5934477 IC50 = 19300.0 nM 4.71
CHEMBL6055562 IC50 = 23400.0 nM 4.63
CHEMBL5874951 IC50 = 24500.0 nM 4.61
CHEMBL5080554 IC50 = 35500.0 nM 4.45
CHEMBL5075300 IC50 = 46400.0 nM 4.33
CHEMBL6055562 k_off = - s-1 -
CHEMBL6055562 kon = - -
CHEMBL5828732 k_off = - s-1 -
CHEMBL5828732 kon = - -
CHEMBL5075300 k_off = - s-1 -
CHEMBL5075300 kon = - -
CHEMBL5080554 k_off = - s-1 -
CHEMBL5080554 kon = - -
CHEMBL2443262 OLICERIDINE k_off = - s-1 -
CHEMBL2443262 OLICERIDINE kon = - -
CHEMBL5083403 kon = - -
CHEMBL5083403 k_off = - s-1 -
CHEMBL5874951 kon = - -
CHEMBL5757634 kon = - -
CHEMBL5874951 k_off = - s-1 -
CHEMBL5934477 kon = - -
CHEMBL5934477 k_off = - s-1 -
CHEMBL5757634 k_off = - s-1 -
CHEMBL5865602 kon = - -
CHEMBL5865602 k_off = - s-1 -