Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50425708
Substrate
n/a
Meas. Tech.
ChEMBL_937791 (CHEMBL2318045)
IC50
38±n/a nM
Citation
 Subasinghe, NL; Lanter, J; Markotan, T; Opas, E; McKenney, S; Crysler, C; Hou, C; O'Neill, J; Johnson, D; Sui, Z A novel series of N-(azetidin-3-yl)-2-(heteroarylamino)acetamide CCR2 antagonists. Bioorg Med Chem Lett 23:1063-9 (2013) [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:
BDBM50425708
Synonyms:
CHEMBL2316211
Type:
Small organic molecule
Emp. Form.:
C23H25F3N6O2S
Mol. Mass.:
506.544
SMILES:
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(27.6,-40.52,;28.39,-41.87,;29.2,-43.17,;30.74,-43.13,;31.47,-41.77,;30.65,-40.47,;29.12,-40.51,;33,-41.72,;34.05,-40.6,;35.19,-41.65,;34.13,-42.77,;36.72,-41.6,;37.54,-42.9,;36.81,-44.26,;39.07,-42.85,;39.89,-44.16,;41.42,-44.11,;42.24,-45.42,;43.79,-45.36,;44.51,-44,;43.69,-42.7,;44.41,-41.34,;43.6,-40.04,;42.06,-40.08,;41.33,-41.44,;42.15,-42.75,;41.25,-38.78,;41.98,-37.42,;39.71,-38.82,;40.47,-37.44,;26.85,-41.92,;25.98,-43.2,;24.5,-42.77,;24.45,-41.23,;25.9,-40.71,)|
Structure:
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