Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50359134
Substrate
n/a
Meas. Tech.
ChEMBL_789638 (CHEMBL1924723)
IC50
140±n/a nM
Citation
 Lanter, JC; Markotan, TP; Zhang, X; Subasinghe, N; Kang, FA; Hou, C; Singer, M; Opas, E; McKenney, S; Crysler, C; Johnson, D; Molloy, CJ; Sui, Z The discovery of novel cyclohexylamide CCR2 antagonists. Bioorg Med Chem Lett 21:7496-501 (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:
BDBM50359134
Synonyms:
CHEMBL1922818
Type:
Small organic molecule
Emp. Form.:
C31H35F3N4O2
Mol. Mass.:
552.6304
SMILES:
NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F |(25.53,-23.99,;26.87,-24.76,;28.2,-23.99,;26.86,-26.3,;25.52,-27.07,;25.52,-28.61,;24.18,-29.37,;24.18,-30.9,;25.51,-31.68,;26.85,-30.91,;26.85,-29.37,;25.51,-33.22,;24.26,-34.13,;24.74,-35.59,;26.28,-35.58,;27.31,-36.72,;28.81,-36.4,;29.28,-34.93,;28.25,-33.8,;26.75,-34.12,;28.19,-27.07,;28.18,-28.62,;29.5,-29.39,;30.84,-28.63,;30.85,-27.09,;29.52,-26.31,;32.17,-29.41,;32.16,-30.95,;33.51,-28.65,;34.84,-29.43,;36.18,-28.67,;37.5,-29.45,;38.84,-28.69,;38.85,-27.15,;37.51,-26.37,;36.18,-27.13,;40.19,-26.39,;41.52,-27.16,;40.19,-24.85,;41.51,-25.6,)|
Structure:
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