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Target
C-X-C chemokine receptor type 3
Ligand
BDBM50299170
Substrate
n/a
Meas. Tech.
ChEMBL_592309 (CHEMBL1046684)
IC50
1930±n/a nM
Citation
 Thoma, G; Baenteli, R; Lewis, I; Wagner, T; Oberer, L; Blum, W; Glickman, F; Streiff, MB; Zerwes, HG Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead. Bioorg Med Chem Lett 19:6185-8 (2009) [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:
BDBM50299170
Synonyms:
(6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide | CHEMBL575890
Type:
Small organic molecule
Emp. Form.:
C26H30N4O2
Mol. Mass.:
430.542
SMILES:
CCN(CC)C(=O)[C@@H]1CC2[C@@H](Cc3c[nH]c4cccc2c34)N(C1)C(=O)Nc1ccccc1 |r|
Structure:
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