Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50224505
Substrate
n/a
Meas. Tech.
ChEMBL_450803 (CHEMBL899888)
IC50
115±n/a nM
Citation
Xia, M; Hou, C; DeMong, DE; Pollack, SR; Pan, M; Brackley, JA; Jain, N; Gerchak, C; Singer, M; Malaviya, R; Matheis, M; Olini, G; Cavender, D; Wachter, M Synthesis, structure-activity relationship and in vivo antiinflammatory efficacy of substituted dipiperidines as CCR2 antagonists. J Med Chem 50:5561-3 (2007) [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:
BDBM50224505
Synonyms:
(E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-p-tolylacryloyl)piperidin-4-yl)acetic acid | CHEMBL236510
Type:
Small organic molecule
Emp. Form.:
C30H35N3O3
Mol. Mass.:
485.6172
SMILES:
Cc1ccc(\C=C\C(=O)N2CCC(CC2)C(N2CCC(CC2)c2c[nH]c3ccccc23)C(O)=O)cc1 |w:15.15|