Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50110626 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_71455 (CHEMBL685984) | ||
IC50 | 0.300000±n/a nM | ||
Citation | Young, JR; Huang, SX; Walsh, TF; Wyvratt, MJ; Yang, YT; Yudkovitz, JB; Cui, J; Mount, GR; Ren, RN; Wu, TJ; Shen, X; Lyons, KA; Mao, AH; Carlin, JR; Karanam, BV; Vincent, SH; Cheng, K; Goulet, MT 2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: optimization of the tryptamine side chain. Bioorg Med Chem Lett12:827-32 (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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BDBM50110626 | |||
n/a | |||
Name | BDBM50110626 | ||
Synonyms: | 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(1H-benzotriazol-5-yl)-ethylamino]-1-methyl-ethyl}-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one | CHEMBL168563 | ||
Type | Small organic molecule | ||
Emp. Form. | C38H46N6O | ||
Mol. Mass. | 602.8114 | ||
SMILES | C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.54,-2.59,;13.54,-4.34,;15.05,-5.22,;16.55,-4.34,;18.06,-5.22,;19.59,-4.34,;21.08,-5.22,;21.11,-6.97,;22.62,-7.82,;24.1,-6.94,;25.76,-7.47,;26.77,-6.07,;25.77,-4.67,;24.1,-5.22,;22.59,-4.34,;12.03,-5.22,;12.04,-6.73,;10.73,-7.52,;9.41,-6.75,;8.1,-7.53,;6.78,-6.79,;6.76,-5.25,;8.07,-4.48,;9.4,-5.22,;5.44,-4.5,;6.19,-3.16,;4.34,-3.41,;4.11,-5.28,;4.14,-6.8,;2.79,-4.53,;3.71,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.37,-7.49,;14.67,-6.71,;16,-7.45,;17.32,-6.67,;16.02,-8.98,;14.7,-9.77,;14.72,-11.29,;13.38,-9.01,)| | ||
Structure |