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Assay Detail

CHEMBL5732890

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Binding
Inhibition Assay: The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suitable resistance marker (neomycin). Using standard techniques the expression plasmid is transfected into G-402 cells and these cells are then selected for expressing the given resistance markers. Individual cell-clones are then selected and assessed for displaying the desired enzymatic activity using 11-Deoxycorticosterone (Cyp11B2) or 11-Deoxycortisol (Cyp11B1) as a substrate.G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 μg/ml G418 (Geneticin) at 37° C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
78
Total Activities
23
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 11B1, mitochondrial (CHEMBL1908)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Dihydroquinoline pyrazolyl compounds
(2017)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 26 9.27 10.31
kon 26 - -
k_off 26 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5991777 3 10.31
CHEMBL6026082 3 10.17
CHEMBL5877749 3 10.13
CHEMBL5816213 6 10.12
CHEMBL5762046 3 9.88
CHEMBL5767596 6 9.73
CHEMBL5985475 3 9.67
CHEMBL6006147 3 9.67
CHEMBL6039670 3 9.57
CHEMBL5843772 3 9.46
CHEMBL5848123 3 9.38
CHEMBL5972697 6 9.30
CHEMBL5870745 3 9.26
CHEMBL5960934 3 9.15
CHEMBL5757854 3 8.95
CHEMBL5835870 3 8.92
CHEMBL6034791 3 8.89
CHEMBL5773604 3 8.61
CHEMBL5840628 3 8.61
CHEMBL5919201 3 8.61
CHEMBL5760532 3 8.48
CHEMBL6043991 3 8.34
CHEMBL5867538 3 8.14

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5991777 EC50 = 0.049 nM 10.31
CHEMBL6026082 EC50 = 0.067 nM 10.17
CHEMBL5877749 EC50 = 0.074 nM 10.13
CHEMBL5816213 EC50 = 0.076 nM 10.12
CHEMBL5762046 EC50 = 0.133 nM 9.88
CHEMBL5767596 EC50 = 0.184 nM 9.73
CHEMBL5985475 EC50 = 0.216 nM 9.67
CHEMBL6006147 EC50 = 0.215 nM 9.67
CHEMBL6039670 EC50 = 0.266 nM 9.57
CHEMBL5843772 EC50 = 0.351 nM 9.46
CHEMBL5848123 EC50 = 0.416 nM 9.38
CHEMBL5767596 EC50 = 0.447 nM 9.35
CHEMBL5972697 EC50 = 0.499 nM 9.30
CHEMBL5870745 EC50 = 0.547 nM 9.26
CHEMBL5960934 EC50 = 0.704 nM 9.15
CHEMBL5972697 EC50 = 0.723 nM 9.14
CHEMBL5816213 EC50 = 0.843 nM 9.07
CHEMBL5757854 EC50 = 1.12 nM 8.95
CHEMBL5835870 EC50 = 1.2 nM 8.92
CHEMBL6034791 EC50 = 1.3 nM 8.89
CHEMBL5840628 EC50 = 2.47 nM 8.61
CHEMBL5773604 EC50 = 2.47 nM 8.61
CHEMBL5919201 EC50 = 2.45 nM 8.61
CHEMBL5760532 EC50 = 3.31 nM 8.48
CHEMBL6043991 EC50 = 4.58 nM 8.34
CHEMBL5867538 EC50 = 7.29 nM 8.14
CHEMBL6043991 kon = - -
CHEMBL6039670 k_off = - s-1 -
CHEMBL6039670 kon = - -
CHEMBL5960934 k_off = - s-1 -
CHEMBL5867538 kon = - -
CHEMBL5773604 k_off = - s-1 -
CHEMBL5773604 kon = - -
CHEMBL6006147 k_off = - s-1 -
CHEMBL6006147 kon = - -
CHEMBL5877749 k_off = - s-1 -
CHEMBL5877749 kon = - -
CHEMBL6043991 k_off = - s-1 -
CHEMBL6034791 k_off = - s-1 -
CHEMBL5991777 k_off = - s-1 -
CHEMBL5991777 kon = - -
CHEMBL6026082 k_off = - s-1 -
CHEMBL6026082 kon = - -
CHEMBL5870745 k_off = - s-1 -
CHEMBL5843772 k_off = - s-1 -
CHEMBL5843772 kon = - -
CHEMBL6034791 kon = - -
CHEMBL5870745 kon = - -
CHEMBL5867538 k_off = - s-1 -
CHEMBL5757854 k_off = - s-1 -