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Assay Detail

CHEMBL4397433

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

Binding
Binding affinity to recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 DE3 Rosetta2 pLysS cells assessed as dissociation constant at 200 to 250 uM by by isothermal titration calorimetry
2
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
Wang Z, Jiang X, Zhang X, Tian G, Yang R, Wu J, Zou X, Liu Z, Yang X, Wu C, Shi J, Li J, Suo J, Wang Y, Zhang R, Xu Z, Gong X, He Y, Zhu W, Aisa HA, Jiang H, Xu Y, Shen J.
J Med Chem (2019) 62 : 4979 -4990
PubMed 31021628 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 2 6.99 7.09

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4462192 1 7.09
CHEMBL2180945 1 6.88

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4462192 Kd = 82.0 nM 7.09
CHEMBL2180945 Kd = 131.0 nM 6.88