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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
| Ligand | BDBM50263733 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
| IC50 | 0.160000±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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| BDBM50263733 | |||
| n/a | |||
| Name | BDBM50263733 | ||
| Synonyms: | CHEMBL4077126 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H19F3N6O | ||
| Mol. Mass. | 416.3997 | ||
| SMILES | Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(c(C)c1)C(F)(F)F |(23.41,-12.38,;22.16,-13.28,;22.15,-14.82,;20.68,-15.29,;20.21,-16.76,;19.79,-14.04,;20.69,-12.8,;20.22,-11.33,;21.13,-10.09,;20.23,-8.84,;20.71,-7.38,;18.76,-9.32,;18.75,-10.85,;17.42,-11.62,;16.09,-10.85,;14.75,-11.61,;16.1,-9.3,;17.43,-8.54,;17.44,-7,;18.24,-14.04,;17.48,-12.71,;15.94,-12.7,;15.16,-14.03,;15.94,-15.36,;15.15,-16.7,;17.47,-15.37,;13.62,-14.02,;13.61,-15.56,;12.28,-14.78,;12.86,-12.69,)| | ||
| Structure | 
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