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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
| Ligand | BDBM50263790 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
| IC50 | 29±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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| BDBM50263790 | |||
| n/a | |||
| Name | BDBM50263790 | ||
| Synonyms: | CHEMBL4103493 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H17F3N6O3 | ||
| Mol. Mass. | 446.3826 | ||
| SMILES | Cc1nc(-c2c(nn(C)c2-c2ccc(c(C)c2)C(F)(F)F)C(O)=O)n2nc(C)[nH]c(=O)c12 |(19.76,-6.04,;19.28,-7.5,;20.18,-8.75,;19.27,-9.99,;19.74,-11.45,;21.21,-11.94,;21.2,-13.47,;19.73,-13.94,;19.26,-15.41,;18.84,-12.69,;17.3,-12.7,;16.53,-11.36,;14.99,-11.36,;14.22,-12.68,;14.99,-14.02,;14.21,-15.35,;16.52,-14.02,;12.67,-12.67,;12.67,-14.21,;11.34,-13.43,;11.92,-11.35,;22.46,-11.03,;23.87,-11.66,;22.3,-9.49,;17.81,-9.51,;16.47,-10.28,;15.15,-9.5,;13.81,-10.27,;15.15,-7.96,;16.49,-7.2,;16.49,-5.66,;17.81,-7.97,)| | ||
| Structure | 
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