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Assay Detail

CHEMBL4029973

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

ADMET
Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
31
Total Activities
31
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 11B1, mitochondrial (CHEMBL1908)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension.
Hoyt SB, Taylor J, London C, Ali A, Ujjainwalla F, Tata J, Struthers M, Cully D, Wisniewski T, Ren N, Bopp C, Sok A, Verras A, McMasters D, Chen Q, Tung E, Tang W, Salituro G, Clemas J, Zhou G, MacNeil D, Duffy R, Xiong Y.
Bioorg Med Chem Lett (2017) 27 : 2384 -2388
PubMed 28416132 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 6.65 8.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4096914 1 8.96
CHEMBL4069720 1 8.74
CHEMBL4075377 1 7.97
CHEMBL4080420 1 7.66
CHEMBL4101709 1 7.33
CHEMBL4067000 1 7.01
CHEMBL4081339 1 6.83
CHEMBL4091491 1 6.71
CHEMBL4061038 1 6.68
CHEMBL4098297 1 6.47
CHEMBL4080256 1 6.41
CHEMBL4075484 1 6.33
CHEMBL4096817 1 6.28
CHEMBL4083708 1 6.27
CHEMBL4082750 1 6.11
CHEMBL4071689 1 6.07
CHEMBL4100299 1 6.04
CHEMBL4100151 1 6.00
CHEMBL4073305 1 5.92
CHEMBL4063670 1 5.89
CHEMBL4070125 1 5.85
CHEMBL4078791 1 5.77
CHEMBL4085626 1 5.70
CHEMBL4089111 1 -
CHEMBL4089210 1 -
CHEMBL4067905 1 -
CHEMBL4099361 1 -
CHEMBL4076806 1 -
CHEMBL4063214 1 -
CHEMBL4099223 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4096914 IC50 = 1.1 nM 8.96
CHEMBL4069720 IC50 = 1.8 nM 8.74
CHEMBL4075377 IC50 = 10.74 nM 7.97
CHEMBL4080420 IC50 = 22.0 nM 7.66
CHEMBL4101709 IC50 = 47.0 nM 7.33
CHEMBL4067000 IC50 = 98.0 nM 7.01
CHEMBL4081339 IC50 = 149.0 nM 6.83
CHEMBL4091491 IC50 = 197.0 nM 6.71
CHEMBL4061038 IC50 = 210.0 nM 6.68
CHEMBL4098297 IC50 = 338.0 nM 6.47
CHEMBL4080256 IC50 = 386.0 nM 6.41
CHEMBL4075484 IC50 = 470.0 nM 6.33
CHEMBL4096817 IC50 = 520.0 nM 6.28
CHEMBL4083708 IC50 = 535.0 nM 6.27
CHEMBL4082750 IC50 = 779.0 nM 6.11
CHEMBL4071689 IC50 = 856.0 nM 6.07
CHEMBL4100299 IC50 = 916.0 nM 6.04
CHEMBL4100151 IC50 = 1000.0 nM 6.00
CHEMBL4073305 IC50 = 1200.0 nM 5.92
CHEMBL4063670 IC50 = 1299.0 nM 5.89
CHEMBL4070125 IC50 = 1400.0 nM 5.85
CHEMBL4078791 IC50 = 1690.0 nM 5.77
CHEMBL4085626 IC50 = 1987.0 nM 5.70
CHEMBL4089111 IC50 > 8300.0 nM -
CHEMBL4089210 IC50 - -
CHEMBL4067905 IC50 > 8300.0 nM -
CHEMBL4099361 IC50 > 8300.0 nM -
CHEMBL4076806 IC50 > 8300.0 nM -
CHEMBL4063214 IC50 > 8300.0 nM -
CHEMBL4099223 IC50 > 8300.0 nM -
CHEMBL4072268 IC50 > 8300.0 nM -