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Assay Detail

CHEMBL4621294

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

ADMET
Inhibition of recombinant human CYP2C9 expressed in baculovirus infected insect cell microsomes using vivid BOMF as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of NAD+ by fluorescence assay
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Subcellular Microsomes
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections.
Gaisina IN, Peet NP, Wong L, Schafer AM, Cheng H, Anantpadma M, Davey RA, Thatcher GRJ, Rong L.
J Med Chem (2020) 63 : 7211 -7225
PubMed 32490678 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 5.06 5.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4634276 1 5.35
CHEMBL4640931 1 5.10
CHEMBL4640955 1 4.73
CHEMBL4644544 1 -
CHEMBL4648334 1 -
CHEMBL4640843 1 -
CHEMBL4645609 1 -
CHEMBL4645123 1 -
CHEMBL4633085 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4634276 IC50 = 4490.0 nM 5.35
CHEMBL4640931 IC50 = 7940.0 nM 5.10
CHEMBL4640955 IC50 = 18600.0 nM 4.73
CHEMBL4644544 IC50 > 100000.0 nM -
CHEMBL4648334 IC50 - -
CHEMBL4640843 IC50 - -
CHEMBL4645609 IC50 - -
CHEMBL4645123 IC50 - -
CHEMBL4633085 IC50 - -