Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50400715
Substrate
n/a
Meas. Tech.
ChEMBL_880323 (CHEMBL2216325)
IC50
74±n/a nM
Citation
 Zhang, X; Hou, C; Hufnagel, H; Singer, M; Opas, E; McKenney, S; Johnson, D; Sui, Z Discovery of a 4-Azetidinyl-1-thiazoyl-cyclohexane CCR2 Antagonist as a Development Candidate. ACS Med Chem Lett 3:1039-1044 (2012) [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:
BDBM50400715
Synonyms:
CHEMBL2204243
Type:
Small organic molecule
Emp. Form.:
C25H29F3N4O3
Mol. Mass.:
490.518
SMILES:
Cc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:7.8,(20.53,-13.7,;21.31,-15.04,;22.86,-15.03,;23.63,-16.37,;22.86,-17.71,;21.32,-17.72,;20.54,-16.39,;23.64,-19.05,;22.86,-20.38,;24.41,-20.39,;25.95,-20.39,;26.72,-19.05,;25.95,-17.73,;24.41,-17.73,;28.26,-19.05,;29.35,-20.14,;30.44,-19.05,;29.35,-17.97,;31.98,-19.05,;32.75,-17.72,;31.98,-16.38,;34.29,-17.72,;35.06,-19.05,;36.6,-19.05,;37.37,-20.38,;37.37,-17.71,;38.91,-17.72,;39.68,-16.38,;38.9,-15.05,;37.36,-15.06,;36.6,-16.39,;36.58,-13.73,;37.34,-12.39,;35.04,-13.73,;35.8,-12.38,)|
Structure:
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