Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50400718
Substrate
n/a
Meas. Tech.
ChEMBL_880324 (CHEMBL2216326)
IC50
650±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:
BDBM50400718
Synonyms:
CHEMBL2204269
Type:
Small organic molecule
Emp. Form.:
C23H26F3N5O3
Mol. Mass.:
477.4794
SMILES:
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1 |r,wU:4.7,wD:1.0,(24.06,-8.68,;24.84,-7.35,;25.61,-8.69,;27.15,-8.69,;27.93,-7.35,;27.15,-6.03,;25.61,-6.03,;29.47,-7.35,;30.56,-8.45,;31.64,-7.36,;30.55,-6.27,;33.18,-7.35,;33.95,-6.02,;33.18,-4.69,;35.49,-6.02,;36.26,-7.35,;37.8,-7.35,;38.58,-8.68,;38.57,-6.01,;40.11,-6.02,;40.88,-4.69,;40.11,-3.35,;38.56,-3.36,;37.8,-4.69,;37.79,-2.03,;38.55,-.69,;36.25,-2.04,;37.01,-.68,;24.06,-6.01,;24.84,-4.67,;24.06,-3.33,;22.51,-3.34,;21.74,-4.69,;22.53,-6.02,)|
Structure:
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