Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50353211
Substrate
n/a
Meas. Tech.
ChEMBL_768743 (CHEMBL1831616)
IC50
42±n/a nM
Citation
 Zhang, X; Hufnagel, H; Markotan, T; Lanter, J; Cai, C; Hou, C; Singer, M; Opas, E; McKenney, S; Crysler, C; Johnson, D; Sui, Z Overcoming hERG activity in the discovery of a series of 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists. Bioorg Med Chem Lett 21:5577-82 (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:
BDBM50353211
Synonyms:
CHEMBL1829613
Type:
Small organic molecule
Emp. Form.:
C25H28F3N3O3
Mol. Mass.:
475.5033
SMILES:
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:7.7,wD:10.14,(12.86,-42.14,;14.19,-41.36,;15.53,-42.13,;16.86,-41.36,;16.85,-39.82,;15.52,-39.05,;14.18,-39.81,;18.18,-39.05,;18.18,-37.51,;19.51,-36.73,;20.84,-37.51,;20.84,-39.05,;19.51,-39.81,;22.18,-36.75,;23.67,-37.15,;24.07,-35.67,;22.58,-35.27,;25.41,-34.9,;26.74,-35.68,;26.73,-37.22,;28.07,-34.91,;29.41,-35.68,;30.74,-34.92,;30.75,-33.38,;32.07,-35.69,;32.06,-37.23,;33.39,-38,;34.73,-37.23,;34.73,-35.69,;33.39,-34.92,;36.06,-34.92,;37.39,-35.68,;36.06,-33.38,;37.39,-34.14,)|
Structure:
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