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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Mineralocorticoid receptor | ||
| Ligand | BDBM50235944 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1658407 (CHEMBL4008019) | ||
| IC50 | 3.8±n/a nM | ||
| Citation |  Martín-Martínez, M; Pérez-Gordillo, FL; Álvarez de la Rosa, D; Rodríguez, Y; Gerona-Navarro, G; González-Muñiz, R; Zhou, MM Modulating Mineralocorticoid Receptor with Non-steroidal Antagonists. New Opportunities for the Development of Potent and Selective Ligands without Off-Target Side Effects. J Med Chem60:2629-2650 (2017) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Mineralocorticoid receptor | |||
| Name: | Mineralocorticoid receptor | ||
| Synonyms: | MCR | MCR_HUMAN | MLR | MR | NR3C2 | Nuclear receptor subfamily 3 group C member 2 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 107076.42 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P08235 | ||
| Residue: | 984 | ||
| Sequence: |
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| BDBM50235944 | |||
| n/a | |||
| Name | BDBM50235944 | ||
| Synonyms: | CHEMBL4078631 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H24F4N2O4S | ||
| Mol. Mass. | 512.517 | ||
| SMILES | C[C@H](O)[C@@H](C)n1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)c1-c1ccc(F)cc1C(F)(F)F |r,wU:1.0,wD:3.3,(67.48,-25.05,;69.02,-24.89,;69.92,-26.14,;69.64,-23.48,;71.18,-23.32,;68.74,-22.24,;67.2,-22.24,;66.73,-20.77,;65.26,-20.3,;64.94,-18.79,;64.12,-21.33,;62.66,-20.85,;62.34,-19.34,;60.88,-18.87,;59.74,-19.9,;60.06,-21.41,;61.53,-21.88,;58.26,-19.42,;57.13,-20.46,;57.49,-18.08,;59.03,-18.08,;67.97,-19.86,;67.97,-18.32,;69.22,-20.77,;70.69,-20.3,;71.82,-21.33,;73.29,-20.86,;73.61,-19.35,;75.07,-18.88,;72.46,-18.32,;71,-18.8,;69.85,-17.77,;70.16,-16.26,;68.39,-18.25,;68.75,-16.67,)| | ||
| Structure | 
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