Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50157314
Substrate
n/a
Meas. Tech.
ChEMBL_306503 (CHEMBL828108)
IC50
1700±n/a nM
Citation
Palucki, BL; Park, MK; Nargund, RP; Ye, Z; Sebhat, IK; Pollard, PG; Kalyani, RN; Tang, R; Macneil, T; Weinberg, DH; Vongs, A; Rosenblum, CI; Doss, GA; Miller, RR; Stearns, RA; Peng, Q; Tamvakopoulos, C; McGowan, E; Martin, WJ; Metzger, JM; Shepherd, CA; Strack, AM; Macintyre, DE; Van der Ploeg, LH; Patchett, AA Discovery of (2S)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-4-methyl-2-piperazinecarboxamide (MB243), a potent and selective melanocortin subtype-4 receptor agonist. Bioorg Med Chem Lett 15:171-5 (2004) [PubMed] Article
More Info.:
Target
Name:
Melanocyte-stimulating hormone receptor
Synonyms:
MC1-R | MC1R | MSH-R | MSHR | MSHR_HUMAN | Melanocortin MC1 | Melanocortin receptor (M1 and M4) | Melanocortin receptor 1 (MC-1) | Melanocortin receptor 1 (MC1-R) | Melanocortin receptor 1 (MC1R)
Type:
Enzyme
Mol. Mass.:
34717.23
Organism:
Homo sapiens (Human)
Description:
Q01726
Residue:
317
Sequence:
MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
Inhibitor
Name:
BDBM50157314
Synonyms:
(S)-4-Methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide | CHEMBL368876
Type:
Small organic molecule
Emp. Form.:
C31H48FN5O3
Mol. Mass.:
557.7429
SMILES:
CN1CCN[C@@H](C1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C