Reaction Details Report a problem with these data
Target
C-C motif chemokine 5
Ligand
BDBM50329255
Substrate
n/a
Meas. Tech.
ChEMBL_675123 (CHEMBL1272914)
IC50
27±n/a nM
Citation
 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series. Bioorg Med Chem Lett 20:6802-7 (2010) [PubMed]  Article 
Target
Name:
C-C motif chemokine 5
Synonyms:
CCL5 | CCL5_HUMAN | D17S136E | EoCP | Eosinophil chemotactic cytokine | RANTES(3-68) | RANTES(4-68) | SCYA5 | SIS-delta | Small-inducible cytokine A5 | T cell-specific protein P228 | T-cell-specific protein RANTES | TCP228
Type:
PROTEIN
Mol. Mass.:
9996.11
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1363187
Residue:
91
Sequence:
MKVSAAALAVILIATALCAPASASPYSSDTTPCCFAYIARPLPRAHIKEYFYTSGKCSNPAVVFVTRKNRQVCANPEKKWVREYINSLEMS
  
Inhibitor
Name:
BDBM50329255
Synonyms:
4,6-dimethyl-5-((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpropyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-2H-pyran-2-one | CHEMBL1271108
Type:
Small organic molecule
Emp. Form.:
C29H39N3O5S
Mol. Mass.:
541.702
SMILES:
Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 |r|
Structure:
Search PDB for entries with ligand similarity: