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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gonadotropin-releasing hormone receptor | ||
| Ligand | BDBM50548469 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2022368 (CHEMBL4676181) | ||
| IC50 | 18±n/a nM | ||
| Citation |  Panknin, O; Wagenfeld, A; Bone, W; Bender, E; Nowak-Reppel, K; Fernández-Montalván, AE; Nubbemeyer, R; Bäurle, S; Ring, S; Schmees, N; Prien, O; Schäfer, M; Friedrich, C; Zollner, TM; Steinmeyer, A; Mueller, T; Langer, G Discovery and Characterization of BAY 1214784, an Orally Available Spiroindoline Derivative Acting as a Potent and Selective Antagonist of the Human Gonadotropin-Releasing Hormone Receptor as Proven in a First-In-Human Study in Postmenopausal Women. J Med Chem63:11854-11881 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Gonadotropin-releasing hormone receptor | |||
| Name: | Gonadotropin-releasing hormone receptor | ||
| Synonyms: | GNRHR | GNRHR_HUMAN | GRHR | GnRH receptor | GnRH-R | Gonadotropin releasing hormone 1 (GnRHR1) | Gonadotropin-releasing hormone receptor | Gonadotropin-releasing hormone receptor (GnRH) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 37749.45 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P30968 | ||
| Residue: | 328 | ||
| Sequence: |
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| BDBM50548469 | |||
| n/a | |||
| Name | BDBM50548469 | ||
| Synonyms: | CHEMBL4762368 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H26FN3O4S2 | ||
| Mol. Mass. | 539.641 | ||
| SMILES | [O-][S+]1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1 |(35.81,-1.68,;35.41,-3.17,;36.5,-4.27,;36.11,-5.75,;34.63,-6.15,;33.53,-5.08,;33.93,-3.59,;35.55,-7.39,;37.09,-7.37,;38.44,-8.13,;38.42,-6.58,;34.66,-8.66,;33.18,-8.2,;31.84,-8.97,;30.51,-8.21,;30.51,-6.67,;29.17,-5.91,;27.84,-6.68,;27.85,-8.22,;26.5,-5.92,;26.5,-4.38,;25.17,-3.62,;23.83,-4.39,;23.85,-5.94,;25.18,-6.7,;31.83,-5.89,;33.16,-6.65,;35.15,-10.11,;36.63,-9.71,;36.24,-11.2,;34.14,-11.27,;32.63,-10.97,;31.61,-12.13,;32.11,-13.59,;31.1,-14.76,;33.63,-13.89,;34.64,-12.72,)| | ||
| Structure | 
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