Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50337245
Substrate
n/a
Meas. Tech.
ChEMBL_726362 (CHEMBL1687494)
IC50
140±n/a nM
Citation
 Shao, Y; Anilkumar, GN; Carroll, CD; Dong, G; Hall, JW; Hobbs, DW; Jiang, Y; Jenh, CH; Kim, SH; Kozlowski, JA; McGuinness, BF; Rosenblum, SB; Schulman, I; Shih, NY; Shu, Y; Wong, MK; Yu, W; Zawacki, LG; Zeng, Q II. SAR studies of pyridyl-piperazinyl-piperidine derivatives as CXCR3 chemokine antagonists. Bioorg Med Chem Lett 21:1527-31 (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:
BDBM50337245
Synonyms:
CHEMBL1681877 | methyl 4-(3-chloro-5-(methylcarbamoyl)pyridin-2-yl)-1-(1-(4-chlorobenzyl)piperidin-4-yl)piperazine-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C25H31Cl2N5O3
Mol. Mass.:
520.451
SMILES:
CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)C(C2)C(=O)OC)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: