Reaction Details | |||
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Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
Ligand | BDBM50286695 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1729499 (CHEMBL4144777) | ||
IC50 | 0.600000±n/a nM | ||
Citation | Stepan, AF; Tran, TP; Helal, CJ; Brown, MS; Chang, C; O'Connor, RE; De Vivo, M; Doran, SD; Fisher, EL; Jenkinson, S; Karanian, D; Kormos, BL; Sharma, R; Walker, GS; Wright, AS; Yang, EX; Brodney, MA; Wager, TT; Verhoest, PR; Obach, RS Late-Stage Microsomal Oxidation Reduces Drug-Drug Interaction and Identifies Phosphodiesterase 2A Inhibitor PF-06815189. ACS Med Chem Lett9:68-72 (2018) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
cGMP-dependent 3',5'-cyclic phosphodiesterase | |||
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: |
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BDBM50286695 | |||
n/a | |||
Name | BDBM50286695 | ||
Synonyms: | CHEMBL4160171 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H17F3N6O | ||
Mol. Mass. | 402.3731 | ||
SMILES | Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(18.8,-12.08,;20.34,-12.07,;21.23,-10.82,;22.7,-11.29,;23.94,-10.38,;22.71,-12.83,;21.25,-13.32,;20.78,-14.79,;21.69,-16.02,;20.8,-17.27,;21.28,-18.73,;19.33,-16.8,;19.33,-15.27,;18,-14.49,;16.67,-15.27,;15.33,-14.5,;16.67,-16.81,;18,-17.57,;18,-19.11,;23.95,-13.73,;23.8,-15.26,;25.05,-16.16,;26.45,-15.53,;26.6,-13.98,;25.35,-13.09,;27.7,-16.42,;27.55,-17.95,;29.11,-15.79,;29.03,-17.19,)| | ||
Structure |