Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50382938
Substrate
n/a
Meas. Tech.
ChEMBL_819954 (CHEMBL2032541)
IC50
5.4±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
More Info.:
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:
BDBM50382938
Synonyms:
CHEMBL2029569
Type:
Small organic molecule
Emp. Form.:
C30H35F3N8O2
Mol. Mass.:
596.6465
SMILES:
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1nccc(n1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.25,-19.16,;27.59,-19.93,;28.92,-20.7,;30.25,-19.93,;30.25,-18.39,;28.92,-17.62,;27.59,-18.39,;31.58,-17.63,;32.91,-18.4,;32.93,-19.94,;34.4,-20.4,;35.29,-19.14,;34.37,-17.9,;36.62,-18.36,;36.61,-16.82,;37.96,-19.12,;37.96,-20.65,;39.29,-21.41,;40.63,-20.64,;40.62,-19.1,;39.28,-18.33,;41.96,-21.4,;41.96,-22.94,;43.3,-23.7,;44.63,-22.93,;44.62,-21.38,;43.28,-20.62,;45.95,-20.6,;47.29,-21.36,;45.94,-19.06,;47.27,-19.82,;26.26,-20.71,;24.92,-19.94,;23.59,-20.71,;23.59,-22.25,;24.94,-23.02,;26.26,-22.24,;22.26,-23.02,;20.93,-22.26,;19.6,-23.03,;19.6,-24.57,;20.95,-25.34,;22.27,-24.56,)|