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Target
cGMP-dependent 3',5'-cyclic phosphodiesterase
Ligand
BDBM50444038
Substrate
n/a
Meas. Tech.
In Vitro Assay PDE2A
pH
7.8±n/a
Temperature
298.15±n/a K
IC50
1.40±n/a nM
Comments
extracted
Citation
 Megens, AA; Langlois, XJ; Andrés-Gil, JI Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders US Patent  US9669035 Publication Date 6/6/2017 
Target
Name:
cGMP-dependent 3',5'-cyclic phosphodiesterase
Synonyms:
CGS-PDE | Cyclic GMP-stimulated phosphodiesterase | Homo sapiens phosphodiesterase 2A (PDE2A) | NM_002599 | PDE2A | PDE2A_HUMAN | cGSPDE
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105691.58
Organism:
Homo sapiens (Human)
Description:
O00408
Residue:
941
Sequence:
MGQACGHSILCRSQQYPAARPAEPRGQQVFLKPDEPPPPPQPCADSLQDALLSLGSVIDISGLQRAVKEALSAVLPRVETVYTYLLDGESQLVCEDPPHELPQEGKVREAIISQKRLGCNGLGFSDLPGKPLARLVAPLAPDTQVLVMPLADKEAGAVAAVILVHCGQLSDNEEWSLQAVEKHTLVALRRVQVLQQRGPREAPRAVQNPPEGTAEDQKGGAAYTDRDRKILQLCGELYDLDASSLQLKVLQYLQQETRASRCCLLLVSEDNLQLSCKVIGDKVLGEEVSFPLTGCLGQVVEDKKSIQLKDLTSEDVQQLQSMLGCELQAMLCVPVISRATDQVVALACAFNKLEGDLFTDEDEHVIQHCFHYTSTVLTSTLAFQKEQKLKCECQALLQVAKNLFTHLDDVSVLLQEIITEARNLSNAEICSVFLLDQNELVAKVFDGGVVDDESYEIRIPADQGIAGHVATTGQILNIPDAYAHPLFYRGVDDSTGFRTRNILCFPIKNENQEVIGVAELVNKINGPWFSKFDEDLATAFSIYCGISIAHSLLYKKVNEAQYRSHLANEMMMYHMKVSDDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEEYEVPDLDGTRAPINGCCSLDAE
  
Inhibitor
Name:
BDBM50444038
Synonyms:
CHEMBL3092563 | US9669035, B-5
Type:
Small organic molecule
Emp. Form.:
C21H19ClFN5O
Mol. Mass.:
411.86
SMILES:
Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1c(F)cccc1Cl |(32.38,-11.31,;31.04,-12.08,;29.71,-11.31,;28.38,-12.08,;27.05,-11.3,;25.72,-12.08,;25.72,-13.62,;24.39,-14.39,;23.06,-13.63,;23.06,-12.09,;21.73,-11.32,;20.39,-12.09,;20.39,-13.63,;21.73,-14.4,;27.05,-14.38,;28.38,-13.62,;29.71,-14.39,;30.03,-15.9,;31.56,-16.06,;32.19,-14.65,;31.04,-13.62,;28.92,-16.96,;27.44,-16.51,;27.08,-15.02,;26.32,-17.57,;26.68,-19.07,;28.16,-19.51,;29.28,-18.45,;30.75,-18.88,)|
Structure:
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