Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50400709
Substrate
n/a
Meas. Tech.
ChEMBL_880324 (CHEMBL2216326)
IC50
18±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:
BDBM50400709
Synonyms:
CHEMBL2204249
Type:
Small organic molecule
Emp. Form.:
C26H31F3N4O4
Mol. Mass.:
520.5439
SMILES:
CCOc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:13.17,wD:9.10,(22.98,-36.29,;21.44,-36.3,;20.67,-37.64,;21.45,-38.97,;23,-38.96,;23.77,-40.3,;23,-41.64,;21.46,-41.65,;20.68,-40.32,;23.78,-42.98,;23,-44.31,;24.55,-44.32,;26.09,-44.32,;26.86,-42.98,;26.09,-41.66,;24.55,-41.66,;28.4,-42.98,;29.49,-44.08,;30.58,-42.99,;29.49,-41.9,;32.12,-42.98,;32.89,-41.65,;32.12,-40.32,;34.43,-41.65,;35.2,-42.98,;36.74,-42.98,;37.51,-44.31,;37.51,-41.64,;39.05,-41.65,;39.82,-40.32,;39.04,-38.98,;37.5,-38.99,;36.74,-40.32,;36.72,-37.66,;37.48,-36.32,;35.18,-37.67,;35.94,-36.31,)|
Structure:
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