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Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50036632
Substrate
n/a
Meas. Tech.
ChEMBL_2070956 (CHEMBL4726490)
IC50
1800±n/a nM
Citation
 Shaaban, MA; Elshaier, YAMM; Hammad, AH; Farag, NA; Hassan Haredy, H; AbdEl-Ghany, AA; Mohamed, KO Design and synthesis of pyrazolo[3,4-d]pyrimidinone derivatives: Discovery of selective phosphodiesterase-5 inhibitors. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50036632
Synonyms:
CHEMBL3354284
Type:
Small organic molecule
Emp. Form.:
C24H32ClN5O4
Mol. Mass.:
489.995
SMILES:
COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CCC[C@H]2CO)cc1Cl |r,wU:17.17,28.31,wD:20.21,(27.61,-1.23,;26.27,-.47,;24.94,-1.24,;23.59,-.48,;22.27,-1.26,;22.29,-2.79,;20.96,-3.57,;20.97,-5.11,;19.64,-5.89,;18.3,-5.12,;16.98,-5.9,;16.98,-7.44,;18.31,-8.21,;19.64,-7.43,;20.98,-8.2,;22.31,-7.43,;20.98,-9.74,;22.32,-10.51,;23.64,-9.73,;24.98,-10.51,;24.98,-12.05,;26.31,-12.82,;23.64,-12.82,;22.31,-12.05,;15.65,-5.13,;14.23,-5.76,;13.2,-4.62,;13.97,-3.28,;15.48,-3.6,;16.61,-2.57,;18.08,-3.03,;23.62,-3.56,;24.95,-2.79,;26.28,-3.55,)|
Structure:
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