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Assay Detail

CHEMBL2020947

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

ADMET
Inhibition of CYP2C9
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 2C9 (CHEMBL3397)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

From ApoA1 upregulation to BET family bromodomain inhibition: discovery of I-BET151.
Mirguet O, Lamotte Y, Donche F, Toum J, Gellibert F, Bouillot A, Gosmini R, Nguyen VL, Delannée D, Seal J, Blandel F, Boullay AB, Boursier E, Martin S, Brusq JM, Krysa G, Riou A, Tellier R, Costaz A, Huet P, Dudit Y, Trottet L, Kirilovsky J, Nicodeme E.
Bioorg Med Chem Lett (2012) 22 : 2963 -2967
PubMed 22386529 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 5.59 6.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2017273 1 6.22
CHEMBL2017268 1 6.16
CHEMBL2017283 1 6.05
CHEMBL2017288 1 6.00
CHEMBL2017274 1 5.92
CHEMBL2017285 1 5.92
CHEMBL2017287 1 5.89
CHEMBL2017089 1 5.68
CHEMBL2017275 1 5.66
CHEMBL2017284 1 5.64
CHEMBL2017290 1 5.62
CHEMBL2017281 1 5.55
CHEMBL2017279 1 5.29
CHEMBL2017280 1 5.07
CHEMBL2017286 1 5.01
CHEMBL2017291 1 5.00
CHEMBL2017276 1 5.00
CHEMBL2017269 1 5.00
CHEMBL2017091 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2017273 IC50 = 600.0 nM 6.22
CHEMBL2017268 IC50 = 700.0 nM 6.16
CHEMBL2017283 IC50 = 900.0 nM 6.05
CHEMBL2017288 IC50 = 1000.0 nM 6.00
CHEMBL2017274 IC50 = 1200.0 nM 5.92
CHEMBL2017285 IC50 = 1200.0 nM 5.92
CHEMBL2017287 IC50 = 1300.0 nM 5.89
CHEMBL2017089 IC50 = 2100.0 nM 5.68
CHEMBL2017275 IC50 = 2200.0 nM 5.66
CHEMBL2017284 IC50 = 2300.0 nM 5.64
CHEMBL2017290 IC50 = 2400.0 nM 5.62
CHEMBL2017281 IC50 = 2800.0 nM 5.55
CHEMBL2017279 IC50 = 5100.0 nM 5.29
CHEMBL2017280 IC50 = 8500.0 nM 5.07
CHEMBL2017286 IC50 = 9800.0 nM 5.01
CHEMBL2017291 IC50 = 9900.0 nM 5.00
CHEMBL2017276 IC50 = 9900.0 nM 5.00
CHEMBL2017269 IC50 = 10000.0 nM 5.00
CHEMBL2017091 IC50 > 33000.0 nM -