Reaction Details Report a problem with these data
Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50357263
Substrate
n/a
Meas. Tech.
ChEMBL_788276 (CHEMBL1919539)
IC50
0.050000±n/a nM
Citation
 Hughes, RO; Maddux, T; Joseph Rogier, D; Lu, S; Walker, JK; Jon Jacobsen, E; Rumsey, JM; Zheng, Y; Macinnes, A; Bond, BR; Han, S Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region. Bioorg Med Chem Lett 21:6348-52 (2011) [PubMed]  Article 
Target
Name:
cGMP-specific 3',5'-cyclic phosphodiesterase
Synonyms:
3',5'-cyclic phosphodiesterase | CGB-PDE | PDE5 | PDE5A | PDE5A_HUMAN | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | Phosphodiesterase 5 (PDE5) | Phosphodiesterase 5A | Phosphodiesterase 5A (PDE5A) | cGMP-binding cGMP-specific phosphodiesterase | cGMP-specific 3',5'-cyclic phosphodiesterase
Type:
Protein
Mol. Mass.:
99975.83
Organism:
Homo sapiens (Human)
Description:
O76074
Residue:
875
Sequence:
MERAGPSFGQQRQQQQPQQQKQQQRDQDSVEAWLDDHWDFTFSYFVRKATREMVNAWFAERVHTIPVCKEGIRGHTESCSCPLQQSPRADNSAPGTPTRKISASEFDRPLRPIVVKDSEGTVSFLSDSEKKEQMPLTPPRFDHDEGDQCSRLLELVKDISSHLDVTALCHKIFLHIHGLISADRYSLFLVCEDSSNDKFLISRLFDVAEGSTLEEVSNNCIRLEWNKGIVGHVAALGEPLNIKDAYEDPRFNAEVDQITGYKTQSILCMPIKNHREEVVGVAQAINKKSGNGGTFTEKDEKDFAAYLAFCGIVLHNAQLYETSLLENKRNQVLLDLASLIFEEQQSLEVILKKIAATIISFMQVQKCTIFIVDEDCSDSFSSVFHMECEELEKSSDTLTREHDANKINYMYAQYVKNTMEPLNIPDVSKDKRFPWTTENTGNVNQQCIRSLLCTPIKNGKKNKVIGVCQLVNKMEENTGKVKPFNRNDEQFLEAFVIFCGLGIQNTQMYEAVERAMAKQMVTLEVLSYHASAAEEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKMLINGESGQAKRN
  
Inhibitor
Name:
BDBM50357263
Synonyms:
CHEMBL1916293
Type:
Small organic molecule
Emp. Form.:
C24H31N5O4
Mol. Mass.:
453.534
SMILES:
CCCOCCn1c2cc(ncc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(28.17,-7.71,;26.83,-8.48,;25.5,-7.71,;24.17,-8.48,;24.17,-10.02,;22.83,-10.79,;22.83,-12.33,;24.16,-13.11,;25.48,-12.34,;26.81,-13.1,;26.82,-14.65,;25.49,-15.41,;24.16,-14.65,;22.83,-15.41,;22.83,-16.95,;21.5,-17.72,;20.17,-16.95,;18.84,-17.71,;18.84,-19.25,;17.5,-20.02,;20.17,-20.02,;21.51,-19.26,;21.5,-14.65,;21.5,-13.11,;20.17,-12.34,;28.14,-12.33,;28.13,-10.79,;29.46,-10.01,;30.8,-10.78,;32.13,-10,;33.47,-10.77,;30.81,-12.32,;29.48,-13.1,)|
Structure:
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