Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50382957
Substrate
n/a
Meas. Tech.
ChEMBL_819954 (CHEMBL2032541)
IC50
35±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:
BDBM50382957
Synonyms:
CHEMBL2029407
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O2
Mol. Mass.:
473.5305
SMILES:
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N1CC[C@@H](C1)N[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:22.23,25.30,wD:19.22,(37.79,1.33,;37.78,2.87,;39.11,3.65,;39.03,1.98,;36.44,3.63,;36.43,5.17,;35.08,5.93,;33.76,5.15,;33.78,3.62,;35.12,2.85,;32.45,2.84,;32.47,1.3,;31.12,3.6,;29.79,2.82,;28.45,3.58,;28.44,5.12,;27.12,2.8,;26.23,1.55,;24.76,2,;24.74,3.54,;26.2,4.04,;23.41,4.31,;22.07,3.55,;22.07,2.01,;20.74,1.24,;19.41,2.01,;19.41,3.55,;20.74,4.32,;18.08,1.23,;16.75,2.01,;15.42,1.23,;15.42,-.31,;16.76,-1.08,;18.09,-.3,)|
Structure:
Search PDB for entries with ligand similarity: