Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50140103 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_480123 (CHEMBL923765) | ||
Ki | 4.5±n/a nM | ||
Citation | Zhao, L; Guo, Z; Chen, Y; Hu, T; Wu, D; Zhu, YF; Rowbottom, M; Gross, TD; Tucci, FC; Struthers, RS; Xie, Q; Chen, C 5-Aryluracils as potent GnRH antagonists-Characterization of atropisomers. Bioorg Med Chem Lett18:3344-9 (2008) [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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BDBM50140103 | |||
n/a | |||
Name | BDBM50140103 | ||
Synonyms: | (S)-1-(2,6-difluorobenzyl)-3-(2-(cyclopentylamino)propyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione | 3-((S)-2-Cyclopentylamino-propyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione | CHEMBL22653 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H30F3N3O3 | ||
Mol. Mass. | 501.5406 | ||
SMILES | COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)NC2CCCC2)c1=O |wU:26.28,(10.27,.16,;8.93,-.64,;8.94,-2.2,;10.29,-2.96,;10.31,-4.5,;8.98,-5.28,;7.64,-4.51,;7.63,-2.97,;6.5,-1.86,;6.31,-5.29,;6.33,-6.83,;7.66,-7.59,;5,-7.61,;5,-9.15,;3.66,-9.93,;3.68,-11.45,;4.75,-12.54,;2.35,-12.23,;1,-11.47,;1,-9.93,;2.33,-9.15,;1.23,-8.05,;3.66,-6.85,;2.33,-7.61,;3.66,-5.31,;2.32,-4.53,;2.32,-2.97,;3.67,-2.19,;.96,-2.2,;.96,-.64,;-.3,.28,;.17,1.77,;1.74,1.77,;2.23,.28,;4.98,-4.53,;4.96,-2.99,)| | ||
Structure |