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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
| Ligand | BDBM50263738 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
| IC50 | 3.5±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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| BDBM50263738 | |||
| n/a | |||
| Name | BDBM50263738 | ||
| Synonyms: | CHEMBL4080264 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H19F3N6O2 | ||
| Mol. Mass. | 432.3991 | ||
| SMILES | COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(21.55,-5.75,;21.07,-7.21,;19.57,-7.53,;19.09,-9,;19.99,-10.25,;19.08,-11.49,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;21.02,-14.98,;19.55,-15.45,;19.07,-16.92,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.62,-9.47,)| | ||
| Structure | 
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