Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50272670 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_510057 (CHEMBL995200) | ||
Ki | 155±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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BDBM50272670 | |||
n/a | |||
Name | BDBM50272670 | ||
Synonyms: | (R)-2-(3-(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)propylamino)acetic acid | CHEMBL499442 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H33F5N4O5 | ||
Mol. Mass. | 660.6309 | ||
SMILES | CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCNCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(-8.75,-49.23,;-7.42,-48.46,;-7.42,-46.92,;-6.09,-46.14,;-4.75,-46.91,;-3.42,-46.13,;-3.42,-44.59,;-2.09,-46.91,;-2.09,-48.45,;-.76,-49.22,;-3.42,-49.21,;-3.42,-50.75,;-4.21,-52.08,;-3.37,-53.36,;-1.84,-53.28,;-4.07,-54.73,;-5.62,-54.81,;-6.45,-53.52,;-5.75,-52.15,;-6.58,-50.85,;-7.4,-49.55,;-7.88,-51.68,;-5.28,-50.03,;-4.75,-48.45,;-6.08,-49.22,;-.76,-46.15,;.57,-46.92,;1.9,-46.16,;1.91,-44.62,;.57,-43.84,;.57,-42.3,;1.9,-41.53,;1.9,-39.99,;3.23,-39.22,;3.23,-37.68,;4.56,-36.91,;5.9,-37.68,;5.9,-39.22,;7.23,-36.91,;-.76,-44.61,;-2.1,-43.84,;-8.76,-46.15,;-8.75,-44.61,;-10.09,-43.85,;-11.43,-44.62,;-11.42,-46.17,;-10.08,-46.93,)| | ||
Structure |