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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gonadotropin-releasing hormone receptor | ||
| Ligand | BDBM50120659 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_49074 | ||
| IC50 | 0.900000±n/a nM | ||
| Citation |  Simeone, JP; Bugianesi, RL; Ponpipom, MM; Yang, YT; Lo, JL; Yudkovitz, JB; Cui, J; Mount, GR; Ren, RN; Creighton, M; Mao, AH; Vincent, SH; Cheng, K; Goulet, MT Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists. Bioorg Med Chem Lett12:3329-32 (2002) [PubMed] | ||
| 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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| BDBM50120659 | |||
| n/a | |||
| Name | BDBM50120659 | ||
| Synonyms: | 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-methyl-pyridin-4-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one | CHEMBL114438 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H48N4O | ||
| Mol. Mass. | 576.8139 | ||
| SMILES | C[C@H](CNCCc1ccnc(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(9.76,-.05,;10.57,-1.37,;12.12,-1.31,;12.85,.04,;14.39,.09,;15.13,1.42,;16.67,1.46,;17.46,.13,;18.99,.14,;19.74,1.49,;18.97,2.81,;19.74,4.16,;17.43,2.78,;9.84,-2.75,;10.5,-4.13,;9.42,-5.19,;8.06,-4.47,;6.63,-5,;5.45,-4.01,;5.72,-2.51,;7.15,-1.99,;8.33,-2.96,;4.54,-1.52,;5.52,-.33,;3.36,-.54,;3.54,-2.7,;4.08,-4.13,;2.05,-2.44,;2.24,-1.07,;.78,-.4,;-.57,-1.02,;-.85,-2.4,;.51,-1.78,;.26,.11,;.71,1.21,;12.04,-4.24,;12.9,-2.96,;14.43,-3.08,;15.32,-1.8,;15.11,-4.45,;14.25,-5.73,;14.91,-7.14,;12.71,-5.62,)| | ||
| Structure | 
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