Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM389722
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
51.4±n/a nM
Citation
 Caroff, E; Castro, R; Meyer, E; Kimmerlin, T 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives US Patent  US9951063 Publication Date 4/24/2018 
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:
BDBM389722
Synonyms:
1-{(R)-4-[2-(6-Fluoro-benzothiazol-2-yl)-5-trifluoromethyl-1,2,3,4-tetrahydro-isoquinolin-8-yl]-2-methyl-piperazin-1-yl}-2-(5-methyl-pyrazol-1-yl)-ethanone | US9951063, 41
Type:
Small organic molecule
Emp. Form.:
C28H28F4N6OS
Mol. Mass.:
572.62
SMILES:
C[C@@H]1CN(CCN1C(=O)Cn1nccc1C)c1ccc(c2CCN(Cc12)c1nc2ccc(F)cc2s1)C(F)(F)F
Structure:
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