Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50382946
Substrate
n/a
Meas. Tech.
ChEMBL_819954 (CHEMBL2032541)
IC50
6.9±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:
BDBM50382946
Synonyms:
CHEMBL2029417
Type:
Small organic molecule
Emp. Form.:
C26H31F3N4O3
Mol. Mass.:
504.5445
SMILES:
Cc1ccc(nc1)[C@]1(O)CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:15.16,7.8,(16.4,-38.74,;17.73,-37.97,;17.73,-36.43,;19.07,-35.65,;20.4,-36.43,;20.41,-37.96,;19.08,-38.74,;21.73,-35.65,;20.39,-34.88,;23.06,-36.42,;24.39,-35.65,;24.39,-34.11,;23.06,-33.34,;21.73,-34.11,;25.73,-33.35,;27.06,-34.12,;27.07,-35.66,;28.54,-36.11,;29.44,-34.86,;28.52,-33.62,;30.77,-34.08,;30.75,-32.54,;32.1,-34.84,;33.43,-34.06,;34.77,-34.82,;34.78,-36.36,;36.1,-34.04,;36.08,-32.51,;37.4,-31.73,;38.75,-32.49,;38.76,-34.03,;37.43,-34.81,;40.1,-34.79,;40.11,-36.33,;41.43,-34.01,;41.35,-35.68,)|