Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50346295
Substrate
n/a
Meas. Tech.
ChEMBL_750495 (CHEMBL1786159)
IC50
23.8±n/a nM
Citation
 Hughes, RO; Rogier, DJ; Devraj, R; Zheng, C; Cao, G; Feng, H; Xia, M; Anand, R; Xing, L; Glenn, J; Zhang, K; Covington, M; Morton, PA; Hutzler, JM; Davis, JW; Scherle, P; Baribaud, F; Bahinski, A; Mo, ZL; Newton, R; Metcalf, B; Xue, CB Discovery of ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(5-(trifluoromethyl)pyridazin-3-yl)piperazin-1-yl)methanone, PF-4254196, a CCR2 antagonist with an improved cardiovascular profile. Bioorg Med Chem Lett 21:2626-30 (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:
BDBM50346295
Synonyms:
CHEMBL1782375 | cis-((1S,3R)-3-(hexahydropyrano[4,3-b]pyrrol-1(6H)-yl)-1-isopropylcyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone
Type:
Small organic molecule
Emp. Form.:
C26H37F3N4O2
Mol. Mass.:
494.5928
SMILES:
CC(C)[C@@]1(CC[C@H](C1)N1CCC2COCCC12)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: