Reaction Details | |||
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Target | Melanocyte-stimulating hormone receptor | ||
Ligand | BDBM50310314 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_608232 (CHEMBL1072421) | ||
EC50 | 990±n/a nM | ||
Citation | Ovadia, O; Linde, Y; Haskell-Luevano, C; Dirain, ML; Sheynis, T; Jelinek, R; Gilon, C; Hoffman, A The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. Bioorg Med Chem18:580-9 (2010) [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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BDBM50310314 | |||
n/a | |||
Name | BDBM50310314 | ||
Synonyms: | 2-((6S,9S)-6-((1H-indol-3-yl)methyl)-13,16-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,22-hexaoxo-1,4,7,10,13,16-hexaazacyclodocosan-4-yl)acetamide | CHEMBL602299 | ||
Type | Small organic molecule | ||
Emp. Form. | C45H57N11O7 | ||
Mol. Mass. | 864.0036 | ||
SMILES | NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)| | ||
Structure |