Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50110593 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_71455 (CHEMBL685984) | ||
IC50 | 0.600000±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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BDBM50110593 | |||
n/a | |||
Name | BDBM50110593 | ||
Synonyms: | 5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-1,3-dihydro-benzoimidazol-2-one | CHEMBL165456 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H47N5O2 | ||
Mol. Mass. | 617.8228 | ||
SMILES | C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| | ||
Structure |