Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 9
Ligand
BDBM50398334
Substrate
n/a
Meas. Tech.
ChEMBL_1572913 (CHEMBL3801236)
Ki
3.7±n/a nM
Citation
 Kalindjian, SB; Kadnur, SV; Hewson, CA; Venkateshappa, C; Juluri, S; Kristam, R; Kulkarni, B; Mohammed, Z; Saxena, R; Viswanadhan, VN; Aiyar, J; McVey, D A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease. J Med Chem 59:3098-111 (2016) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 9
Synonyms:
CCR9 | CCR9_HUMAN | GPR28
Type:
PROTEIN
Mol. Mass.:
42023.90
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1510356
Residue:
369
Sequence:
MTPTDFTSPIPNMADDYGSESTSSMEDYVNFNFTDFYCEKNNVRQFASHFLPPLYWLVFIVGALGNSLVILVYWYCTRVKTMTDMFLLNLAIADLLFLVTLPFWAIAAADQWKFQTFMCKVVNSMYKMNFYSCVLLIMCISVDRYIAIAQAMRAHTWREKRLLYSKMVCFTIWVLAAALCIPEILYSQIKEESGIAICTMVYPSDESTKLKSAVLTLKVILGFFLPFVVMACCYTIIIHTLIQAKKSSKHKALKVTITVLTVFVLSQFPYNCILLVQTIDAYAMFISNCAVSTNIDICFQVTQTIAFFHSCLNPVLYVFVGERFRRDLVKTLKNLGCISQAQWVSFTRREGSLKLSSMLLETTSGALSL
  
Inhibitor
Name:
BDBM50398334
Synonyms:
CHEMBL2178578
Type:
Small organic molecule
Emp. Form.:
C22H21ClN2O4S
Mol. Mass.:
444.931
SMILES:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1
Structure:
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