Reaction Details Report a problem with these data
Target
cGMP-specific 3',5'-cyclic phosphodiesterase [537-875]
Ligand
BDBM235742
Substrate
n/a
Meas. Tech.
Caliper Mobility-Shift Assay
pH
7.5±n/a
IC50
4.02±n/a nM
Comments
extracted
Citation
 Wu, F; Wang, A Bicyclic substituted pyrimidine compounds US Patent  US9359371 Publication Date 6/7/2016 
Target
Name:
cGMP-specific 3',5'-cyclic phosphodiesterase [537-875]
Synonyms:
PDE5 | PDE5A | PDE5A_HUMAN | Phosphodiesterase 5A
Type:
Enzyme
Mol. Mass.:
39142.81
Organism:
Homo sapiens (Human)
Description:
Recombinant human PDE5A (537-end O76074); Cat no. 93-31G-20 (SignalChem).
Residue:
339
Sequence:
TRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKMLINGESGQAKRN
  
Inhibitor
Name:
BDBM235742
Synonyms:
US9359371, 11
Type:
Small organic molecule
Emp. Form.:
C24H30ClN5O3
Mol. Mass.:
471.98
SMILES:
COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CC3CC3C2)cc1Cl |r,wU:17.17,wD:20.21,(-9.38,-3.8,;-8.05,-4.57,;-6.72,-3.8,;-5.33,-4.55,;-4,-3.78,;-4,-2.24,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;,.07,;1.33,.84,;2.67,.07,;2.67,-1.47,;1.33,-2.24,;1.33,-3.78,;,-4.55,;2.67,-4.55,;4,-3.78,;4,-2.24,;5.33,-1.47,;6.67,-2.24,;8,-1.47,;6.67,-3.78,;5.33,-4.55,;1.33,2.38,;2.58,3.29,;2.1,4.75,;1.33,6.09,;.56,4.75,;.09,3.29,;-5.33,-1.47,;-6.67,-2.24,;-8,-1.47,)|
Structure:
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