Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50315995
Substrate
n/a
Meas. Tech.
ChEMBL_625751 (CHEMBL1104428)
IC50
4500±n/a nM
Citation
 Cherney, RJ; Mo, R; Meyer, DT; Voss, ME; Yang, MG; Santella, JB; Duncia, JV; Lo, YC; Yang, G; Miller, PB; Scherle, PA; Zhao, Q; Mandlekar, S; Cvijic, ME; Barrish, JC; Decicco, CP; Carter, PH gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. Bioorg Med Chem Lett 20:2425-30 (2010) [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:
BDBM50315995
Synonyms:
(+/-)-N-(1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexyl)-3-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide | CHEMBL1093319 | N-(1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-((4-(methylthio)phenylsulfonyl)methyl)cyclohexyl)-3-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C31H40F3N3O4S2
Mol. Mass.:
639.792
SMILES:
CSc1ccc(cc1)S(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CCC(C)(NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r|
Structure:
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