Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM141948
Substrate
n/a
Meas. Tech.
Binding Assay
Temperature
310.15±n/a K
IC50
122±n/a nM
Comments
extracted
Citation
 Lanter, JC; Markotan, TP; Subasinghe, N; Sui, Z; Zhang, X 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 US Patent  US8921559 Publication Date 12/30/2014 
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:
BDBM141948
Synonyms:
US8921559, 43
Type:
Small organic molecule
Emp. Form.:
C29H35N5O2
Mol. Mass.:
485.6205
SMILES:
NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)\C=C\c1ccccc1 |r,wU:5.4,wD:8.11,(-.15,1.19,;-1.48,.42,;-2.82,1.19,;-1.48,-1.12,;-2.82,-1.89,;-4.15,-1.12,;-5.48,-1.89,;-6.82,-1.12,;-6.82,.42,;-5.48,1.19,;-4.15,.42,;-8.15,1.19,;-9.62,.71,;-10.52,1.96,;-9.62,3.2,;-9.94,4.71,;-8.79,5.74,;-7.33,5.27,;-7.01,3.76,;-8.15,2.73,;-.15,-1.89,;1.18,-1.12,;2.52,-1.89,;2.52,-3.43,;1.18,-4.2,;-.15,-3.43,;3.85,-4.2,;3.85,-5.74,;5.19,-3.43,;6.52,-4.2,;7.85,-3.43,;9.19,-4.2,;10.52,-3.43,;10.52,-1.89,;9.19,-1.12,;7.85,-1.89,)|
Structure:
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