Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50258046
Substrate
n/a
Meas. Tech.
ChEMBL_566656 (CHEMBL960970)
IC50
0.8±n/a nM
Citation
 Kothandaraman, S; Donnely, KL; Butora, G; Jiao, R; Pasternak, A; Morriello, GJ; Goble, SD; Zhou, C; Mills, SG; Maccoss, M; Vicario, PP; Ayala, JM; Demartino, JA; Struthers, M; Cascieri, MA; Yang, L Design, synthesis, and structure-activity relationship of novel CCR2 antagonists. Bioorg Med Chem Lett 19:1830-4 (2009) [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:
BDBM50258046
Synonyms:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarboxamide | (1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclo pentane carboxamide | (1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclo pentanecarboxamide | CHEMBL492564
Type:
Small organic molecule
Emp. Form.:
C23H29F7N2O2
Mol. Mass.:
498.4774
SMILES:
CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1F)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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