Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50355249
Substrate
n/a
Meas. Tech.
ChEMBL_772988 (CHEMBL1837907)
IC50
27±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:
Human
Description:
P41597
Residue:
374
Sequence:
MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
  
Inhibitor
Name:
BDBM50355249
Synonyms:
CHEMBL1834719
Type:
Small organic molecule
Emp. Form.:
C22H28F3N5O3
Mol. Mass.:
467.4846
SMILES:
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-9.38,3.96,;-8.61,2.63,;-9.38,1.29,;-8.61,-.04,;-9.38,-1.38,;-7.07,-.04,;-6.3,-1.39,;-4.77,-1.39,;-3.99,-.06,;-4.76,1.28,;-6.31,1.29,;-2.45,-.06,;-1.36,-1.16,;-.27,-.08,;-1.36,1.02,;1.27,-.08,;2.03,-1.42,;1.26,-2.75,;3.57,-1.42,;4.34,-2.76,;5.88,-2.76,;6.78,-4.01,;8.25,-3.53,;8.24,-1.99,;9.38,-.97,;9.07,.53,;7.6,1,;6.47,-.02,;6.79,-1.51,;7.28,2.51,;8.42,3.54,;5.82,2.98,;6.87,4.01,)|
Structure:
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