Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50197986
Substrate
n/a
Meas. Tech.
ChEMBL_453298 (CHEMBL902453)
IC50
4741±n/a nM
Citation
 Pinkerton, AB; Huang, D; Cube, RV; Hutchinson, JH; Struthers, M; Ayala, JM; Vicario, PP; Patel, SR; Wisniewski, T; DeMartino, JA; Vernier, JM Diaryl substituted pyrazoles as potent CCR2 receptor antagonists. Bioorg Med Chem Lett 17:807-13 (2007) [PubMed]  Article
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:
BDBM50197986
Synonyms:
(S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-yl-2H-pyrazol-3-yl]-propionylamino}-5-guanidino-pentanoic acid methyl ester | (S)-methyl 2-(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yl)propanamido)-5-guanidinopentanoate | CHEMBL442254
Type:
Small organic molecule
Emp. Form.:
C29H30Cl2N6O3
Mol. Mass.:
581.493
SMILES:
[#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
Structure:
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