Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM610418
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
0.700±n/a nM
Citation
 Caroff, E; Meyer, E Hydroxyalkyl-piperazine derivatives as CXCR3 receptor modulators US Patent  US10053457 Publication Date 8/21/2018 
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:
BDBM610418
Synonyms:
2-(5-Fluoro-indol-1-yl)-1-{(R)-2-hydroxymethyl-4-[2-trifluoromethyl-4-(2-trifluoromethyl-pyrimidin-5-yl)-thiazol-5-yl]-piperazin-1-yl}-ethanone | US10053457, Example 14
Type:
Small organic molecule
Emp. Form.:
C24H19F7N6O2S
Mol. Mass.:
588.5
SMILES:
OC[C@H]1CN(CCN1C(=O)Cn1ccc2cc(F)ccc12)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Structure:
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