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Target
cGMP-dependent 3',5'-cyclic phosphodiesterase
Ligand
BDBM50425140
Substrate
n/a
Meas. Tech.
ChEMBL_936843 (CHEMBL2320477)
IC50
0.280000±n/a nM
Citation
 Andrés, JI; Buijnsters, P; De Angelis, M; Langlois, X; Rombouts, F; Trabanco, AA; Vanhoof, G Discovery of a new series of [1,2,4]triazolo[4,3-a]quinoxalines as dual phosphodiesterase 2/phosphodiesterase 10 (PDE2/PDE10) inhibitors. Bioorg Med Chem Lett 23:785-90 (2013) [PubMed]  Article 
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:
BDBM50425140
Synonyms:
CHEMBL2313250
Type:
Small organic molecule
Emp. Form.:
C19H15Cl2N5O
Mol. Mass.:
400.261
SMILES:
CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1 |(41.13,-18.18,;39.8,-18.95,;38.47,-18.18,;37.13,-18.95,;37.14,-20.49,;35.8,-18.19,;34.46,-18.96,;33.13,-18.19,;33.13,-16.64,;31.79,-15.89,;31.79,-14.35,;30.45,-13.58,;33.12,-13.58,;33.44,-12.07,;34.97,-11.9,;35.6,-13.31,;37.1,-13.63,;38.12,-12.48,;37.64,-11.02,;39.63,-12.79,;40.11,-14.26,;39.08,-15.41,;37.58,-15.09,;36.55,-16.24,;34.45,-14.34,;34.46,-15.87,;35.79,-16.64,)|
Structure:
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