Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50382945
Substrate
n/a
Meas. Tech.
ChEMBL_819954 (CHEMBL2032541)
IC50
11±n/a nM
Citation
 Xue, CB; Wang, A; Han, Q; Zhang, Y; Cao, G; Feng, H; Huang, T; Zheng, C; Xia, M; Zhang, K; Kong, L; Glenn, J; Anand, R; Meloni, D; Robinson, DJ; Shao, L; Storace, L; Li, M; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Scherle, P; Diamond, S; Emm, T; Yeleswaram, S; Contel, N; Vaddi, K; Newton, R; Hollis, G; Metcalf, B Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist. ACS Med Chem Lett 2:913-918 (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:
BDBM50382945
Synonyms:
CHEMBL2029412
Type:
Small organic molecule
Emp. Form.:
C25H29F3N4O3
Mol. Mass.:
490.518
SMILES:
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccn1 |r,wU:4.7,wD:8.8,1.0,(-7.61,-21.12,;-6.28,-21.89,;-4.95,-22.66,;-3.62,-21.89,;-3.62,-20.35,;-4.95,-19.58,;-6.28,-20.35,;-2.28,-19.59,;-.95,-20.36,;-.93,-21.9,;.54,-22.36,;1.43,-21.1,;.51,-19.86,;2.76,-20.32,;2.75,-18.78,;4.1,-21.08,;5.43,-20.3,;6.76,-21.06,;6.78,-22.6,;8.09,-20.28,;8.07,-18.75,;9.39,-17.97,;10.74,-18.73,;10.75,-20.27,;9.43,-21.05,;12.09,-21.03,;12.1,-22.57,;13.42,-20.25,;13.34,-21.92,;-7.61,-22.67,;-8.94,-21.9,;-10.27,-22.67,;-10.27,-24.21,;-8.93,-24.98,;-7.6,-24.2,)|
Structure:
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