Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50382934
Substrate
n/a
Meas. Tech.
ChEMBL_819954 (CHEMBL2032541)
IC50
4.5±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:
BDBM50382934
Synonyms:
CHEMBL2029567
Type:
Small organic molecule
Emp. Form.:
C31H36F3N7O2
Mol. Mass.:
595.6584
SMILES:
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cccc(n1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.16,-10.9,;27.49,-11.67,;28.82,-12.43,;30.15,-11.67,;30.15,-10.13,;28.82,-9.35,;27.49,-10.13,;31.49,-9.36,;32.82,-10.14,;32.84,-11.67,;34.31,-12.13,;35.2,-10.87,;34.28,-9.64,;36.53,-10.09,;36.52,-8.55,;37.87,-10.85,;37.87,-12.38,;39.2,-13.14,;40.53,-12.37,;40.53,-10.83,;39.19,-10.06,;41.87,-13.14,;41.87,-14.67,;43.2,-15.44,;44.54,-14.66,;44.53,-13.11,;43.19,-12.36,;45.85,-12.33,;47.19,-13.1,;45.84,-10.79,;47.18,-11.55,;26.16,-12.44,;24.83,-11.67,;23.5,-12.44,;23.5,-13.98,;24.84,-14.75,;26.17,-13.97,;22.17,-14.75,;20.83,-13.99,;19.5,-14.77,;19.51,-16.31,;20.85,-17.07,;22.18,-16.3,)|