Reaction Details | |||
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Target | Melanocyte-stimulating hormone receptor | ||
Ligand | BDBM50217735 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_448689 (CHEMBL896689) | ||
Ki | 940±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: |
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BDBM50217735 | |||
n/a | |||
Name | BDBM50217735 | ||
Synonyms: | CHEMBL236002 | N-(2-bromo-4,5-dimethoxycinnamyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide | ||
Type | Small organic molecule | ||
Emp. Form. | C43H54BrN3O4 | ||
Mol. Mass. | 756.811 | ||
SMILES | COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(15.88,-19.42,;15.9,-20.96,;17.24,-21.71,;17.27,-23.26,;18.62,-24,;18.64,-25.54,;19.93,-23.21,;21.27,-23.96,;22.6,-23.18,;23.94,-23.93,;25.26,-23.14,;25.23,-21.58,;26.58,-20.79,;26.56,-19.24,;25.2,-18.48,;25.18,-16.94,;26.51,-16.15,;27.85,-16.92,;29.17,-16.14,;29.16,-14.6,;30.49,-13.82,;27.82,-13.84,;26.49,-14.62,;23.87,-19.27,;23.87,-20.83,;26.61,-23.9,;26.64,-25.45,;27.94,-23.1,;29.28,-23.83,;30.62,-23.06,;31.94,-23.82,;33.35,-23.15,;34.12,-21.81,;35.66,-21.8,;36.43,-23.13,;37.97,-23.12,;38.73,-21.78,;40.27,-21.76,;37.94,-20.45,;36.41,-20.46,;34.41,-24.28,;33.66,-25.62,;34.15,-27.07,;33.15,-28.23,;31.63,-27.93,;31.14,-26.48,;32.15,-25.32,;19.91,-21.67,;18.57,-20.92,;18.55,-19.38,;19.87,-18.59,)| | ||
Structure |