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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
| Ligand | BDBM50263777 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
| IC50 | 11±n/a nM | ||
| Citation |  Obach, RS; Walker, GS; Sharma, R; Jenkinson, S; Tran, TP; Stepan, AF Lead Diversification at the Nanomole Scale Using Liver Microsomes and Quantitative Nuclear Magnetic Resonance Spectroscopy: Application to Phosphodiesterase 2 Inhibitors. J Med Chem61:3626-3640 (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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| BDBM50263777 | |||
| n/a | |||
| Name | BDBM50263777 | ||
| Synonyms: | CHEMBL4077939 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H16F3N7O | ||
| Mol. Mass. | 403.3611 | ||
| SMILES | Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(28.74,-15.37,;27.5,-16.28,;27.49,-17.82,;26.03,-18.29,;25.55,-19.75,;25.13,-17.04,;26.03,-15.8,;25.56,-14.33,;26.47,-13.09,;25.57,-11.84,;26.05,-10.38,;24.1,-12.32,;24.1,-13.86,;22.77,-14.62,;21.43,-13.85,;20.1,-14.62,;21.44,-12.31,;22.77,-11.55,;22.77,-10.01,;23.59,-17.04,;22.82,-18.37,;21.28,-18.37,;20.51,-17.03,;21.28,-15.7,;22.82,-15.7,;18.97,-17.03,;18.96,-18.57,;17.63,-17.79,;18.21,-15.69,)| | ||
| Structure | 
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