Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50354719
Substrate
n/a
Meas. Tech.
ChEMBL_771453 (CHEMBL1837213)
IC50
0.210000±n/a nM
Citation
 Baumhover, NJ; Martin, ME; Parameswarappa, SG; Kloepping, KC; O'Dorisio, MS; Pigge, FC; Schultz, MK Improved synthesis and biological evaluation of chelator-modifieda-MSH analogs prepared by copper-free click chemistry. Bioorg Med Chem Lett 21:5757-61 (2011) [PubMed]  Article 
Target
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:
MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
  
Inhibitor
Name:
BDBM50354719
Synonyms:
CHEMBL1834391
Type:
Small organic molecule
Emp. Form.:
C76H109N21O18
Mol. Mass.:
1604.8086
SMILES:
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.27,8.10,4.4,74.76,92.96,108.113,wD:14.23,33.33,42.42,52.53,63.65,104.110,(10.67,7.94,;10.68,6.4,;9.35,5.63,;9.35,4.09,;8.01,3.31,;6.68,4.09,;5.35,3.31,;5.35,1.78,;4.01,4.09,;4.01,5.63,;5.35,6.4,;2.68,3.31,;1.35,4.09,;1.35,5.63,;.01,3.31,;.01,1.78,;1.35,1,;2.67,1.77,;4,1.01,;4,-.54,;5.33,-1.31,;2.67,-1.31,;1.35,-.53,;-1.32,4.09,;-2.66,3.31,;-2.66,1.78,;-3.99,4.09,;-5.32,3.31,;-3.99,5.63,;-5.32,6.4,;8.01,1.78,;6.68,1,;9.35,1,;9.35,-.53,;8.01,-1.31,;8.01,-2.84,;6.68,-3.62,;5.35,-2.84,;6.68,-5.15,;10.68,-1.31,;12.02,-.53,;10.68,-2.84,;12.02,-3.62,;12.02,-5.15,;10.68,-5.93,;10.52,-7.46,;9.02,-7.78,;8.25,-6.45,;9.28,-5.3,;13.35,-2.84,;13.35,-1.31,;14.68,-3.62,;16.02,-2.84,;16.02,-1.31,;17.36,-.53,;18.68,-1.3,;20.02,-.53,;20.02,1,;18.68,1.78,;17.36,1,;17.36,-3.62,;17.36,-5.15,;18.69,-2.84,;20.02,-3.62,;20.02,-5.15,;21.35,-5.93,;21.35,-7.46,;22.69,-8.24,;22.69,-9.77,;21.35,-10.55,;24.02,-10.55,;21.35,-2.84,;21.35,-1.31,;22.69,-3.62,;24.02,-2.84,;24.02,-1.31,;25.36,-.53,;26.76,-1.16,;27.79,-.02,;27.03,1.32,;27.5,2.78,;26.48,3.93,;24.97,3.61,;24.49,2.15,;25.52,1,;25.36,-3.62,;25.36,-5.15,;26.7,-2.84,;28.03,-3.62,;29.36,-2.84,;29.36,-1.31,;30.69,-3.62,;32.03,-2.84,;32.03,-1.31,;30.69,-.53,;30.69,1,;32.03,1.78,;32.03,3.31,;33.37,-3.62,;34.7,-2.84,;33.37,-5.15,;32.11,-6.07,;32.59,-7.53,;34.13,-7.53,;34.61,-6.06,;35.91,-5.24,;35.92,-3.7,;37.24,-6.01,;38.58,-5.25,;38.58,-3.72,;39.92,-2.96,;37.26,-2.94,;39.9,-6.04,;39.89,-7.58,;41.24,-5.28,)|
Structure:
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