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Target
C-C chemokine receptor type 2
Ligand
BDBM50363947
Substrate
n/a
Meas. Tech.
ChEMBL_802787 (CHEMBL1953521)
IC50
7.8±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:
BDBM50363947
Synonyms:
CHEMBL1951772
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)c1ccncn1 |r,wU:4.7,wD:10.13,1.0,(-5.51,-34.96,;-4.74,-36.3,;-3.93,-37.62,;-2.4,-37.59,;-1.65,-36.24,;-2.45,-34.92,;-3.99,-34.95,;-.11,-36.21,;.81,-37.43,;2.27,-36.93,;2.24,-35.39,;.76,-34.94,;3.56,-34.6,;4.9,-35.36,;4.92,-36.9,;6.23,-34.57,;7.57,-35.32,;8.9,-34.54,;8.88,-33,;10.24,-35.29,;10.25,-36.83,;11.59,-37.58,;12.92,-36.8,;12.89,-35.25,;11.55,-34.5,;14.21,-34.46,;15.56,-35.21,;14.19,-32.92,;15.54,-33.68,;-6.28,-36.34,;-7.08,-35.03,;-8.61,-35.06,;-9.36,-36.41,;-8.56,-37.73,;-7.02,-37.7,)|
Structure:
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