Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50110614 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_71455 (CHEMBL685984) | ||
IC50 | 0.500000±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: |
| ||
BDBM50110614 | |||
n/a | |||
Name | BDBM50110614 | ||
Synonyms: | 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-benzo[1,2,5]thiadiazol-5-yl-ethylamino)-1-methyl-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one | CHEMBL169620 | ||
Type | Small organic molecule | ||
Emp. Form. | C38H45N5OS | ||
Mol. Mass. | 619.862 | ||
SMILES | C[C@H](CNCCc1ccc2nsnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(14.68,-8.52,;14.68,-10.28,;16.19,-11.15,;17.72,-10.28,;19.23,-11.15,;20.75,-10.28,;22.26,-11.17,;22.27,-12.92,;23.78,-13.78,;25.28,-12.89,;26.94,-13.43,;27.96,-12.03,;26.94,-10.61,;25.28,-11.15,;23.77,-10.28,;13.18,-11.15,;13.19,-12.69,;11.87,-13.46,;10.54,-12.69,;9.24,-13.48,;7.91,-12.73,;7.89,-11.2,;9.21,-10.43,;10.54,-11.18,;6.56,-10.43,;5.47,-9.35,;7.33,-9.1,;5.25,-11.22,;5.26,-12.74,;3.93,-10.46,;4.7,-9.1,;2.85,-8.22,;1.01,-9.29,;.27,-10.75,;2.03,-9.56,;1.87,-8.02,;2.71,-6.99,;14.52,-13.43,;15.82,-12.66,;17.16,-13.41,;18.49,-12.61,;17.17,-14.94,;15.86,-15.71,;15.87,-17.25,;14.52,-14.97,)| | ||
Structure |