Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50358632
Substrate
n/a
Meas. Tech.
ChEMBL_789428 (CHEMBL1924404)
IC50
2.9±n/a nM
Citation
 Kim, SH; Anilkumar, GN; Zawacki, LG; Zeng, Q; Yang, DY; Shao, Y; Dong, G; Xu, X; Yu, W; Jiang, Y; Jenh, CH; Hall, JW; Carroll, CD; Hobbs, DW; Baldwin, JJ; McGuinness, BF; Rosenblum, SB; Kozlowski, JA; Shankar, BB; Shih, NY III. Identification of novel CXCR3 chemokine receptor antagonists with a pyrazinyl-piperazinyl-piperidine scaffold. Bioorg Med Chem Lett 21:6982-6 (2011) [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:
BDBM50358632
Synonyms:
CHEMBL1921881
Type:
Small organic molecule
Emp. Form.:
C25H34Cl2N8O3
Mol. Mass.:
565.495
SMILES:
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC[C@@H](C)O |r|
Structure:
Search PDB for entries with ligand similarity: