Reaction Details | |||
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Target | cGMP-dependent 3',5'-cyclic phosphodiesterase | ||
Ligand | BDBM50263740 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1698247 (CHEMBL4049137) | ||
IC50 | 9.2±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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BDBM50263740 | |||
n/a | |||
Name | BDBM50263740 | ||
Synonyms: | CHEMBL4088142 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H17F3N6O3 | ||
Mol. Mass. | 434.3719 | ||
SMILES | Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(13.61,-11.77,;14.95,-11.01,;16.28,-11.78,;17.62,-11.01,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;16.29,-8.7,;16.3,-7.15,;14.96,-9.46,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;23.68,-13.16,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;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,)| | ||
Structure |