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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
| Ligand | BDBM50263734 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
| IC50 | 20±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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| BDBM50263734 | |||
| n/a | |||
| Name | BDBM50263734 | ||
| Synonyms: | CHEMBL4066430 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H19F3N6O3 | ||
| Mol. Mass. | 448.3985 | ||
| SMILES | Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)c1)C(F)(F)F |(23.43,-12.39,;22.18,-13.29,;22.18,-14.83,;20.71,-15.3,;20.23,-16.77,;19.81,-14.05,;20.71,-12.81,;20.24,-11.35,;21.15,-10.1,;20.25,-8.85,;20.73,-7.38,;19.7,-6.24,;18.78,-9.32,;18.77,-10.86,;17.44,-11.63,;16.11,-10.86,;14.77,-11.62,;16.11,-9.31,;17.45,-8.55,;17.46,-7.01,;18.26,-14.06,;17.5,-12.72,;15.95,-12.71,;15.18,-14.04,;15.95,-15.38,;15.17,-16.72,;13.63,-16.71,;17.49,-15.39,;13.63,-14.03,;13.62,-15.57,;12.3,-14.8,;12.87,-12.7,)| | ||
| Structure | 
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