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Target
C-C chemokine receptor type 2
Ligand
BDBM50363946
Substrate
n/a
Meas. Tech.
ChEMBL_802787 (CHEMBL1953521)
IC50
10.3±n/a nM
Citation
 Xue, CB; Feng, H; Cao, G; Huang, T; Glenn, J; Anand, R; Meloni, D; Zhang, K; Kong, L; Wang, A; Zhang, Y; Zheng, C; Xia, M; Chen, L; Tanaka, H; Han, Q; Robinson, DJ; Modi, D; Storace, L; Shao, L; Sharief, V; Li, M; Galya, LG; Covington, M; Scherle, P; Diamond, S; Emm, T; Yeleswaram, S; Contel, N; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B Discovery of INCB3284, a Potent, Selective, and Orally Bioavailable hCCR2 Antagonist. ACS Med Chem Lett 2:450-454 (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:
BDBM50363946
Synonyms:
CHEMBL1951771
Type:
Small organic molecule
Emp. Form.:
C24H28F3N5O3
Mol. Mass.:
491.506
SMILES:
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ncccn1 |r,wU:4.7,wD:10.13,1.0,(-5.61,-27.39,;-4.83,-28.74,;-4.02,-30.05,;-2.49,-30.02,;-1.74,-28.67,;-2.54,-27.35,;-4.09,-27.38,;-.2,-28.64,;.72,-29.87,;2.17,-29.36,;2.14,-27.82,;.67,-27.38,;3.47,-27.04,;4.81,-27.79,;4.83,-29.33,;6.14,-27,;7.48,-27.76,;8.8,-26.97,;8.78,-25.43,;10.15,-27.72,;10.16,-29.26,;11.5,-30.02,;12.82,-29.23,;12.8,-27.68,;11.46,-26.93,;14.12,-26.89,;15.47,-27.64,;14.1,-25.35,;15.45,-26.11,;-6.37,-28.77,;-7.17,-27.46,;-8.71,-27.49,;-9.45,-28.84,;-8.66,-30.16,;-7.11,-30.13,)|
Structure:
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