Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50229381
Substrate
n/a
Meas. Tech.
ChEMBL_461808 (CHEMBL928937)
IC50
0.8±n/a nM
Citation
 Li, AR; Johnson, MG; Liu, J; Chen, X; Du, X; Mihalic, JT; Deignan, J; Gustin, DJ; Duquette, J; Fu, Z; Zhu, L; Marcus, AP; Bergeron, P; McGee, LR; Danao, J; Lemon, B; Carabeo, T; Sullivan, T; Ma, J; Tang, L; Tonn, G; Collins, TL; Medina, JC Optimization of the heterocyclic core of the quinazolinone-derived CXCR3 antagonists. Bioorg Med Chem Lett 18:688-93 (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:
BDBM50229381
Synonyms:
(R)-N-(1-(3-(4-cyanophenyl)quinolin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide | CHEMBL254083
Type:
Small organic molecule
Emp. Form.:
C31H27F4N3O3S
Mol. Mass.:
597.623
SMILES:
CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Structure:
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