Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Melanocyte-stimulating hormone receptor | ||
| Ligand | BDBM50217788 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_448689 (CHEMBL896689) | ||
| Ki | 1600±n/a nM | ||
| Citation |  Mutulis, F; Kreicberga, J; Yahorava, S; Mutule, I; Borisova-Jan, L; Yahorau, A; Muceniece, R; Azena, S; Veiksina, S; Petrovska, R; Wikberg, JE Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core. Bioorg Med Chem15:5787-810 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Melanocyte-stimulating hormone receptor | |||
| Name: | Melanocyte-stimulating hormone receptor | ||
| Synonyms: | MC1-R | MSHR_MOUSE | Mc1r | Melanocortin receptor 1 | Melanocyte-stimulating hormone receptor | Msh-r | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 35238.60 | ||
| Organism: | Mus musculus | ||
| Description: | ChEMBL_1498846 | ||
| Residue: | 315 | ||
| Sequence: |
| ||
| BDBM50217788 | |||
| n/a | |||
| Name | BDBM50217788 | ||
| Synonyms: | (Z)-N-((4-(aminomethyl)cyclohexyl)methyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide | CHEMBL238368 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H36ClN3O | ||
| Mol. Mass. | 478.069 | ||
| SMILES | NCC1CCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(12.03,-2.53,;12.05,-4.06,;10.73,-4.84,;10.75,-6.37,;9.43,-7.16,;8.08,-6.41,;6.75,-7.19,;6.77,-8.73,;5.41,-9.62,;3.96,-8.88,;3.95,-7.24,;2.6,-9.77,;1.15,-9.03,;1.07,-7.41,;-.38,-6.67,;-1.74,-7.56,;-1.65,-9.19,;-.2,-9.92,;8.07,-9.53,;8.04,-11.05,;9.42,-8.79,;10.74,-9.59,;12.09,-8.85,;13.07,-9.11,;13.73,-10.51,;15.25,-10.32,;15.54,-8.8,;16.85,-8.01,;16.82,-6.48,;15.47,-5.74,;14.16,-6.54,;14.2,-8.06,;8.06,-4.87,;9.39,-4.08,)| | ||
| Structure | 
| ||