Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50355253
Substrate
n/a
Meas. Tech.
ChEMBL_772989 (CHEMBL1837908)
IC50
20±n/a nM
Citation
 Zhang, X; Hufnagel, H; Hou, C; Opas, E; McKenney, S; Crysler, C; O'Neill, J; Johnson, D; Sui, Z Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists. Bioorg Med Chem Lett 21:6042-8 (2011) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 2
Synonyms:
C-C chemokine receptor type 2 (CCR2) | CCR2 | CCR2_HUMAN | CMKBR2 | Chemoattractant Cytokine Receptor 2 (CCR2) | Chemokine Receptor Type 2b (CCR2b) | Monocyte chemotactic protein-1 (MCP-1)
Type:
Enzyme
Mol. Mass.:
41932.32
Organism:
Homo sapiens (Human)
Description:
P41597
Residue:
374
Sequence:
MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
  
Inhibitor
Name:
BDBM50355253
Synonyms:
CHEMBL1834651
Type:
Small organic molecule
Emp. Form.:
C26H27F3N4O4
Mol. Mass.:
516.5122
SMILES:
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccc4OCOc4c3)c2c1 |r,wU:23.27,20.20,(10.41,3.54,;9.27,2.51,;7.8,2.98,;8.86,4.01,;9.59,1,;11.06,.53,;11.37,-.97,;10.23,-1.99,;10.23,-3.53,;8.77,-4.01,;7.87,-2.76,;6.33,-2.76,;5.56,-1.42,;4.02,-1.42,;3.25,-2.75,;3.26,-.08,;1.72,-.08,;.62,-1.16,;-.47,-.06,;.63,1.02,;-2.01,-.06,;-2.78,-1.39,;-4.32,-1.39,;-5.08,-.04,;-4.32,1.29,;-2.77,1.28,;-6.62,-.04,;-7.38,-1.37,;-8.92,-1.38,;-9.69,-.04,;-11.21,.28,;-11.37,1.81,;-9.96,2.44,;-8.93,1.3,;-7.39,1.3,;8.77,-1.51,;8.46,-.02,)|
Structure:
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