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Assay Detail

CHEMBL3815618

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

Binding
Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADPH measured after 2 mins by spectrofluorometric method
15
Total Activities
15
Compounds Tested
1
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 1B1 (CHEMBL4878)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Aryl morpholino triazenes inhibit cytochrome P450 1A1 and 1B1.
Lee D, Perez P, Jackson W, Chin T, Galbreath M, Fronczek FR, Isovitsch R, Iimoto DS.
Bioorg Med Chem Lett (2016) 26 : 3243 -3247
PubMed 27265259 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 5.43 8.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL46909 1 8.22
CHEMBL3814495 1 5.70
CHEMBL3815143 1 5.16
CHEMBL3814750 1 4.75
CHEMBL43065 OXYRESVERATROL 1 4.47
CHEMBL165 RESVERATROL 3.0 1 4.26
CHEMBL3814820 1 -
CHEMBL3815038 1 -
CHEMBL3814999 1 -
CHEMBL3814177 1 -
CHEMBL57376 4-BROMOANILINE 1 -
CHEMBL542 AMINOBENZOIC ACID -1.0 1 -
CHEMBL14282 4-NITROANILINE 1 -
CHEMBL538 ANILINE 1 -
CHEMBL276518 MORPHOLINE 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL46909 IC50 = 6.0 nM 8.22
CHEMBL3814495 IC50 = 2000.0 nM 5.70
CHEMBL3815143 IC50 = 7000.0 nM 5.16
CHEMBL3814750 IC50 = 18000.0 nM 4.75
CHEMBL43065 OXYRESVERATROL IC50 = 34000.0 nM 4.47
CHEMBL165 RESVERATROL IC50 = 55000.0 nM 4.26
CHEMBL3814820 IC50 = 163000.0 nM -
CHEMBL3815038 IC50 - -
CHEMBL3814999 IC50 = 400000.0 nM -
CHEMBL3814177 IC50 - -
CHEMBL57376 4-BROMOANILINE IC50 - -
CHEMBL542 AMINOBENZOIC ACID IC50 > 120000.0 nM -
CHEMBL14282 4-NITROANILINE IC50 - -
CHEMBL538 ANILINE IC50 - -
CHEMBL276518 MORPHOLINE IC50 - -