Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50272668 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_510057 (CHEMBL995200) | ||
Ki | 27±n/a nM | ||
Citation | Regan, CF; Guo, Z; Chen, Y; Huang, CQ; Chen, M; Jiang, W; Rueter, JK; Coon, T; Chen, C; Saunders, J; Brown, MS; Betz, SF; Struthers, RS; Yang, C; Wen, J; Madan, A; Zhu, YF Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett18:4503-7 (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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BDBM50272668 | |||
n/a | |||
Name | BDBM50272668 | ||
Synonyms: | (R)-2-(2-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-3-(2-(methylamino)-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)ethylamino)acetic acid | CHEMBL502967 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H31F5N4O5 | ||
Mol. Mass. | 646.6044 | ||
SMILES | CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCNCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(12.22,-28.79,;13.55,-28.02,;13.55,-26.48,;14.88,-25.7,;16.22,-26.47,;17.55,-25.69,;17.55,-24.15,;18.87,-26.47,;18.87,-28.01,;20.21,-28.78,;17.55,-28.77,;17.55,-30.31,;16.76,-31.64,;17.59,-32.92,;19.13,-32.84,;16.9,-34.29,;15.35,-34.37,;14.52,-33.08,;15.22,-31.71,;14.39,-30.41,;13.57,-29.11,;13.09,-31.24,;15.69,-29.59,;16.22,-28.01,;14.88,-28.78,;20.2,-25.71,;21.54,-26.48,;22.87,-25.72,;22.88,-24.18,;21.54,-23.4,;21.53,-21.86,;22.87,-21.09,;22.87,-19.55,;24.2,-18.78,;24.2,-17.24,;25.53,-16.47,;26.87,-17.24,;25.54,-14.93,;20.21,-24.17,;18.87,-23.4,;12.21,-25.71,;12.22,-24.17,;10.88,-23.41,;9.55,-24.18,;9.56,-25.73,;10.89,-26.49,)| | ||
Structure |