Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50346296
Substrate
n/a
Meas. Tech.
ChEMBL_750494 (CHEMBL1786158)
IC50
31.9±n/a nM
Citation
Hughes, RO; Rogier, DJ; Devraj, R; Zheng, C; Cao, G; Feng, H; Xia, M; Anand, R; Xing, L; Glenn, J; Zhang, K; Covington, M; Morton, PA; Hutzler, JM; Davis, JW; Scherle, P; Baribaud, F; Bahinski, A; Mo, ZL; Newton, R; Metcalf, B; Xue, CB Discovery of ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(5-(trifluoromethyl)pyridazin-3-yl)piperazin-1-yl)methanone, PF-4254196, a CCR2 antagonist with an improved cardiovascular profile. Bioorg Med Chem Lett 21:2626-30 (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:
BDBM50346296
Synonyms:
CHEMBL1782378 | cis-((1S,3R)-1-isopropyl-3-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)(methyl)amino)cyclopentyl)(4-(5-(trifluoromethyl)pyridazin-3-yl)piperazin-1-yl)methanone
Type:
Small organic molecule
Emp. Form.:
C25H38F3N5O3
Mol. Mass.:
513.5961
SMILES:
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F |r|