Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gonadotropin-releasing hormone receptor | ||
| Ligand | BDBM50120668 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_49074 (CHEMBL662304) | ||
| IC50 | 62±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: |
| ||
| BDBM50120668 | |||
| n/a | |||
| Name | BDBM50120668 | ||
| Synonyms: | 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-propyl-pyridin-4-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one | CHEMBL325417 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C40H52N4O | ||
| Mol. Mass. | 604.8671 | ||
| SMILES | CCCc1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccn1 |wD:10.10,THB:24:26:30.29:32.33,(23.27,4.17,;22.21,3.05,;20.72,3.4,;19.67,2.29,;18.15,2.65,;17.1,1.53,;15.59,1.87,;14.55,.74,;13.04,1.06,;12.01,-.08,;10.48,.25,;10.01,1.72,;9.43,-.92,;9.76,-2.41,;8.44,-3.18,;7.3,-2.17,;5.77,-2.33,;4.86,-1.1,;5.49,.32,;7,.48,;7.91,-.75,;4.58,1.55,;5.81,2.47,;3.66,2.81,;3.33,.65,;3.51,-.87,;1.92,1.26,;2.45,2.56,;1.17,3.54,;-.28,3.26,;-.88,1.98,;.59,2.26,;.8,4.17,;1.5,5.15,;11.23,-2.9,;12.37,-1.87,;13.84,-2.34,;15,-1.31,;14.16,-3.85,;13,-4.88,;13.32,-6.41,;11.53,-4.41,;17.54,.04,;19.04,-.31,;20.09,.83,)| | ||
| Structure | 
| ||