Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL4328673

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

ADMET
Inhibition of C-terminal 4His-tagged CYP2C9 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design.
Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.
J Med Chem (2018) 61 : 11074 -11100
PubMed 30384606 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 5.73 6.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2006299 1 6.92
CHEMBL4476761 1 6.58
CHEMBL4454552 1 6.32
CHEMBL4448806 1 6.19
CHEMBL4522042 1 5.69
CHEMBL4460511 1 5.22
CHEMBL4472858 1 5.11
CHEMBL4436040 1 4.80
CHEMBL4459800 1 4.74
CHEMBL4474946 1 -
CHEMBL4584824 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2006299 IC50 = 120.0 nM 6.92
CHEMBL4476761 IC50 = 260.0 nM 6.58
CHEMBL4454552 IC50 = 480.0 nM 6.32
CHEMBL4448806 IC50 = 640.0 nM 6.19
CHEMBL4522042 IC50 = 2040.0 nM 5.69
CHEMBL4460511 IC50 = 6000.0 nM 5.22
CHEMBL4472858 IC50 = 7700.0 nM 5.11
CHEMBL4436040 IC50 = 16000.0 nM 4.80
CHEMBL4459800 IC50 = 18100.0 nM 4.74
CHEMBL4474946 IC50 > 20000.0 nM -
CHEMBL4584824 IC50 > 20000.0 nM -