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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gonadotropin-releasing hormone receptor | ||
| Ligand | BDBM50120653 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_49074 (CHEMBL662304) | ||
| IC50 | 55±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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| BDBM50120653 | |||
| n/a | |||
| Name | BDBM50120653 | ||
| Synonyms: | 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(2-methoxymethyl-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one | CHEMBL79639 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C39H50N4O2 | ||
| Mol. Mass. | 606.8399 | ||
| SMILES | COCc1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccn1 |wD:10.10,TLB:24:26:30.29:32.33,(21.92,.09,;21.01,-1.17,;19.48,-1.01,;18.58,-2.26,;17.05,-2.1,;16.14,-3.34,;14.6,-3.18,;13.69,-4.44,;12.17,-4.27,;11.26,-5.52,;9.73,-5.36,;9.1,-3.95,;8.82,-6.6,;9.28,-8.07,;8.06,-8.97,;6.81,-8.07,;5.31,-8.4,;4.27,-7.26,;4.76,-5.8,;6.25,-5.48,;7.28,-6.6,;3.74,-4.65,;4.88,-3.62,;2.71,-3.5,;2.59,-5.66,;2.9,-7.16,;1.13,-5.17,;.82,-3.67,;-.7,-3.5,;-1.86,-4.54,;-1.76,-6.07,;-.62,-5.04,;-1.33,-3.64,;-1.33,-2.11,;10.79,-8.4,;11.82,-7.26,;13.32,-7.58,;14.36,-6.44,;13.8,-9.05,;12.76,-10.19,;13.22,-11.65,;11.27,-9.86,;16.77,-4.75,;18.3,-4.92,;19.21,-3.67,)| | ||
| Structure | 
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