Reaction Details Report a problem with these data
Target
Interleukin-2 receptor subunit alpha
Ligand
BDBM50147972
Substrate
n/a
Meas. Tech.
ChEMBL_89084 (CHEMBL878448)
IC50
130000±n/a nM
Citation
 Raimundo, BC; Oslob, JD; Braisted, AC; Hyde, J; McDowell, RS; Randal, M; Waal, ND; Wilkinson, J; Yu, CH; Arkin, MR Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. J Med Chem 47:3111-30 (2004) [PubMed]  Article 
Target
Name:
Interleukin-2 receptor subunit alpha
Synonyms:
CD_antigen=CD25 | IL-2 receptor alpha subunit | IL-2-RA | IL2-RA | IL2RA_MOUSE | Il2r | Il2ra | Interleukin-2 receptor alpha chain | p55
Type:
PROTEIN
Mol. Mass.:
30733.96
Organism:
Mus musculus
Description:
ChEMBL_89085
Residue:
268
Sequence:
MEPRLLMLGFLSLTIVPSCRAELCLYDPPEVPNATFKALSYKNGTILNCECKRGFRRLKELVYMRCLGNSWSSNCQCTSNSHDKSRKQVTAQLEHQKEQQTTTDMQKPTQSMHQENLTGHCREPPPWKHEDSKRIYHFVEGQSVHYECIPGYKALQRGPAISICKMKCGKTGWTQPQLTCVDEREHHRFLASEESQGSRNSSPESETSCPITTTDFPQPTETTAMTETFVLTMEYKVAVASCLFLLISILLLSGLTWQHRWRKSRRTI
  
Inhibitor
Name:
BDBM50147972
Synonyms:
2-(R)-Cyclohexyl-N-(2-{4-[5-(2,3-dimethyl-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide | CHEMBL106368
Type:
Small organic molecule
Emp. Form.:
C27H39N7O2
Mol. Mass.:
493.6443
SMILES:
Cc1cccc(-c2cc([nH]n2)C2CCN(CC2)C(=O)CNC(=O)[C@H](N=C(N)N)C2CCCCC2)c1C |wD:23.25,(-6.99,-8.1,;-6.99,-6.56,;-8.32,-5.79,;-8.32,-4.25,;-6.99,-3.48,;-5.64,-4.25,;-4.36,-3.39,;-2.91,-3.93,;-1.96,-2.71,;-2.82,-1.45,;-4.31,-1.87,;-.42,-2.78,;.29,-4.15,;1.82,-4.21,;2.64,-2.91,;1.92,-1.55,;.38,-1.48,;4.18,-2.97,;4.9,-4.34,;5,-1.68,;6.54,-1.73,;7.37,-.43,;6.65,.92,;8.91,-.5,;9.73,.81,;11.27,.74,;11.97,-.63,;12.09,2.04,;9.61,-1.87,;11.15,-1.92,;11.85,-3.3,;11.03,-4.59,;9.49,-4.52,;8.78,-3.16,;-5.64,-5.79,;-4.31,-6.56,)|
Structure:
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