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Assay Detail

CHEMBL3603206

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

Binding
Time-dependent inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenerating solution
14
Total Activities
12
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 1A2 (CHEMBL3356)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2.
Liu J, Pham PT, Skripnikova EV, Zheng S, Lovings LJ, Wang Y, Goyal N, Bellow SM, Mensah LM, Chatters AJ, Bratton MR, Wiese TE, Zhao M, Wang G, Foroozesh M.
J Med Chem (2015) 58 : 6481 -6493
PubMed 26222195 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
TDI 10 - -
Ki 2 6.64 6.92
Kinact 2 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3601434 2 6.92
CHEMBL3601433 2 6.36
CHEMBL3601437 1 -
CHEMBL3601438 1 -
CHEMBL3601439 1 -
CHEMBL3601440 1 -
CHEMBL3601441 1 -
CHEMBL3601508 1 -
CHEMBL50703 1 -
CHEMBL3601509 1 -
CHEMBL3601510 1 -
CHEMBL3601511 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3601434 Ki = 120.0 nM 6.92
CHEMBL3601433 Ki = 440.0 nM 6.36
CHEMBL3601437 TDI - -
CHEMBL3601438 TDI - -
CHEMBL3601439 TDI - -
CHEMBL3601440 TDI - -
CHEMBL3601441 TDI - -
CHEMBL3601508 TDI - -
CHEMBL50703 TDI - -
CHEMBL3601509 TDI - -
CHEMBL3601510 TDI - -
CHEMBL3601511 TDI - -
CHEMBL3601433 Kinact = 0.42 /min -
CHEMBL3601434 Kinact = 0.26 /min -