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Assay Detail

CHEMBL4200907

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

Binding
Inhibition of human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

cGMP-specific 3',5'-cyclic phosphodiesterase (CHEMBL1827)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
Wu D, Huang Y, Chen Y, Huang YY, Geng H, Zhang T, Zhang C, Li Z, Guo L, Chen J, Luo HB.
J Med Chem (2018) 61 : 8468 -8473
PubMed 30148362 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 8.65 9.49

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4218772 1 9.49
CHEMBL4204687 1 9.41
CHEMBL4217826 1 9.28
CHEMBL4209550 1 9.10
CHEMBL4215845 1 8.98
CHEMBL4206819 1 8.85
CHEMBL4209964 1 8.80
CHEMBL4214877 1 8.79
CHEMBL4218349 1 8.68
CHEMBL4206105 1 8.62
CHEMBL4205598 1 8.62
CHEMBL4210468 1 8.58
CHEMBL4214882 1 8.58
CHEMBL4209958 1 8.52
CHEMBL4202694 1 8.42
CHEMBL4207041 1 8.39
CHEMBL4206520 1 8.36
CHEMBL192 SILDENAFIL 4.0 1 8.29
CHEMBL4218777 1 8.17
CHEMBL4214353 1 8.02
CHEMBL4210889 1 7.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4218772 IC50 = 0.32 nM 9.49
CHEMBL4204687 IC50 = 0.39 nM 9.41
CHEMBL4217826 IC50 = 0.52 nM 9.28
CHEMBL4209550 IC50 = 0.79 nM 9.10
CHEMBL4215845 IC50 = 1.05 nM 8.98
CHEMBL4206819 IC50 = 1.41 nM 8.85
CHEMBL4209964 IC50 = 1.58 nM 8.80
CHEMBL4214877 IC50 = 1.63 nM 8.79
CHEMBL4218349 IC50 = 2.09 nM 8.68
CHEMBL4206105 IC50 = 2.37 nM 8.62
CHEMBL4205598 IC50 = 2.38 nM 8.62
CHEMBL4210468 IC50 = 2.64 nM 8.58
CHEMBL4214882 IC50 = 2.64 nM 8.58
CHEMBL4209958 IC50 = 3.04 nM 8.52
CHEMBL4202694 IC50 = 3.82 nM 8.42
CHEMBL4207041 IC50 = 4.03 nM 8.39
CHEMBL4206520 IC50 = 4.38 nM 8.36
CHEMBL192 SILDENAFIL IC50 = 5.1 nM 8.29
CHEMBL4218777 IC50 = 6.82 nM 8.17
CHEMBL4214353 IC50 = 9.63 nM 8.02
CHEMBL4210889 IC50 = 17.0 nM 7.77