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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Gonadotropin-releasing hormone receptor | ||
| Ligand | BDBM50224310 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_474609 (CHEMBL921115) | ||
| Ki | 40±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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| BDBM50224310 | |||
| n/a | |||
| Name | BDBM50224310 | ||
| Synonyms: | 5-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid (4-guanidinomethyl-cyclohexylmethyl)-amide | CHEMBL261145 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H44N4O2 | ||
| Mol. Mass. | 492.696 | ||
| SMILES | Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CN=C(N)N)CC1)C(C)(C)CCC2(C)C |(6.78,4.17,;7.56,2.84,;9.09,2.85,;9.88,1.51,;9.1,.17,;7.57,.17,;6.81,1.51,;5.27,1.5,;4.5,.17,;5.27,-1.17,;4.24,-2.31,;2.83,-1.68,;2.99,-.15,;1.5,-2.45,;1.5,-3.99,;.17,-1.68,;-1.17,-2.45,;-2.5,-1.68,;-3.84,-2.45,;-5.18,-1.68,;-5.18,-.13,;-6.51,.64,;-7.84,-.13,;-9.18,.63,;-10.51,-.14,;-9.18,2.17,;-3.84,.65,;-2.5,-.13,;9.86,-1.16,;8.32,-1.15,;10.63,-2.48,;11.41,-1.17,;12.19,.17,;11.42,1.52,;12.95,1.52,;11.01,3.01,)| | ||
| Structure | 
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