Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50229439
Substrate
n/a
Meas. Tech.
ChEMBL_463732 (CHEMBL932090)
IC50
0.7±n/a nM
Citation
 Du, X; Chen, X; Mihalic, JT; Deignan, J; Duquette, J; Li, AR; Lemon, B; Ma, J; Miao, S; Ebsworth, K; Sullivan, TJ; Tonn, G; Collins, TL; Medina, JC Design and optimization of imidazole derivatives as potent CXCR3 antagonists. Bioorg Med Chem Lett 18:608-13 (2008) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 3
Synonyms:
AAO92295.1 | C-X-C chemokine receptor type 3 | C-X-C chemokine receptor type 3 (CXCR3) | C-X-C chemokine receptor type 3 (CXCR3A) | CXCR3 | CXCR3A | CXCR3_HUMAN | GPR9 | chemokine (C-X-C motif) receptor 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40665.65
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
368
Sequence:
MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
  
Inhibitor
Name:
BDBM50229439
Synonyms:
(R)-N-(1-(1-(4-cyanophenyl)-4-phenyl-1H-imidazol-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide | CHEMBL403036
Type:
Small organic molecule
Emp. Form.:
C31H28F4N4O3S
Mol. Mass.:
612.638
SMILES:
CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)-c1ccccc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Structure:
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