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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
| Ligand | BDBM50263746 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
| IC50 | 6.4±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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| BDBM50263746 | |||
| n/a | |||
| Name | BDBM50263746 | ||
| Synonyms: | CHEMBL4084107 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H19F3N6O3 | ||
| Mol. Mass. | 448.3985 | ||
| SMILES | COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2[n+]([O-])c(C)[nH]c(=O)c12 |(21.51,-4.74,;21.03,-6.2,;19.53,-6.52,;19.06,-7.99,;19.95,-9.23,;19.05,-10.48,;19.52,-12.93,;20.98,-13.42,;22.23,-12.51,;20.98,-14.95,;19.51,-15.42,;19.03,-16.88,;18.61,-14.17,;17.07,-14.17,;16.3,-15.5,;14.77,-15.5,;14,-14.16,;14.77,-12.84,;16.31,-12.84,;12.45,-14.15,;12.44,-15.69,;11.12,-14.91,;11.69,-12.83,;17.58,-9.99,;16.25,-10.76,;16.25,-12.31,;14.92,-9.99,;13.59,-10.75,;14.93,-8.45,;16.26,-7.69,;16.27,-6.14,;17.59,-8.46,)| | ||
| Structure | 
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