Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50140097 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_474609 (CHEMBL921115) | ||
Ki | 6±n/a nM | ||
Citation | Feher, M; Gao, Y; Baber, JC; Shirley, WA; Saunders, J The use of ligand-based de novo design for scaffold hopping and sidechain optimization: two case studies. Bioorg Med Chem16:422-7 (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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BDBM50140097 | |||
n/a | |||
Name | BDBM50140097 | ||
Synonyms: | 1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-{(R)-2-[(thiazol-2-ylmethyl)-amino]-propyl}-1H-pyrimidine-2,4-dione | CHEMBL280664 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H25F3N4O3S | ||
Mol. Mass. | 530.562 | ||
SMILES | COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2nccs2)c1=O |wD:26.28,(4.83,2.23,;3.49,1.44,;3.5,-.13,;4.84,-.88,;4.86,-2.42,;3.54,-3.2,;2.2,-2.44,;2.19,-.91,;1.07,.21,;.88,-3.22,;.88,-4.77,;2.23,-5.52,;-.44,-5.54,;-.44,-7.08,;-1.78,-7.86,;-3.1,-7.08,;-4.21,-5.97,;-4.44,-7.86,;-4.44,-9.4,;-3.09,-10.16,;-1.77,-9.38,;-.68,-10.47,;-1.79,-4.78,;-3.12,-5.55,;-1.79,-3.24,;-3.12,-2.47,;-3.12,-.91,;-1.77,-.13,;-4.47,-.13,;-4.47,1.44,;-5.96,1.94,;-7.24,1.06,;-8.47,2,;-7.97,3.47,;-6.41,3.45,;-.47,-2.46,;-.47,-.92,)| | ||
Structure |