Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50329962
Substrate
n/a
Meas. Tech.
ChEMBL_675993 (CHEMBL1272931)
EC50
18±n/a nM
Citation
He, S; Ye, Z; Dobbelaar, PH; Bakshi, RK; Hong, Q; Dellureficio, JP; Sebhat, IK; Guo, L; Liu, J; Jian, T; Lai, Y; Franklin, CL; Reibarkh, M; Holmes, MA; Weinberg, DH; MacNeil, T; Tang, R; Tamvakopoulos, C; Peng, Q; Miller, RR; Stearns, RA; Chen, HY; Chen, AS; Strack, AM; Fong, TM; Wyvratt, MJ; Nargund, RP Discovery of highly potent and efficacious MC4R agonists with spiroindane N-Me-1,2,4-triazole privileged structures for the treatment of obesity. Bioorg Med Chem Lett 20:6524-32 (2010) [PubMed] Article
More Info.:
Target
Name:
Melanocortin receptor 4
Synonyms:
MC4-R | MC4R | MC4R_HUMAN | Melanocortin MC4 | Melanocortin receptor 4 (MC-4) | Melanocortin receptor 4 (MC4-R) | Melanocortin receptor 4 (MC4R)
Type:
Enzyme
Mol. Mass.:
36949.50
Organism:
Homo sapiens (Human)
Description:
P32245
Residue:
332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
Inhibitor
Name:
BDBM50329962
Synonyms:
CHEMBL404696 | N-((S)-1-(2-(1-((3R,4S)-1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine-4-carbonyl)piperidin-4-yl)-5-chlorophenyl)propyl)acetamide | N-((S)-1-(2-(1-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperidin-4-yl)-5-chlorophenyl)propyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C31H40ClF2N3O2
Mol. Mass.:
560.118
SMILES:
CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C