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Target
C-X-C chemokine receptor type 6
Ligand
BDBM50539483
Substrate
n/a
Meas. Tech.
ChEMBL_1978159 (CHEMBL4611294)
IC50
>40000±n/a nM
Citation
 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Discovery of small molecule antagonists of chemokine receptor CXCR6 that arrest tumor growth in SK-HEP-1 mouse xenografts as a model of hepatocellular carcinoma. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 6
Synonyms:
C-X-C chemokine receptor type 6 | CD_antigen=CD186 | CXC-R6 | CXCR-6 | CXCR6_MOUSE | Cxcr6
Type:
PROTEIN
Mol. Mass.:
40476.41
Organism:
Mus musculus
Description:
ChEMBL_119946
Residue:
351
Sequence:
MDDGHQESALYDGHYEGDFWLFNNSSDNSQENKRFLKFKEVFLPCVYLVVFVFGLLGNSLVLIIYIFYQKLRTLTDVFLLNLPLADLVFVCTLPFWAYAGTYEWVFGTVMCKTLRGMYTMNFYVSMLTLTCITVDRFIVVVQATKAFNRQAKWKIWGQVICLLIWVVSLLVSLPQIIYGHVQDIDKLICQYHSEEISTMVLVIQMTLGFFLPLLTMILCYSGIIKTLLHARNFQKHKSLKIIFLVVAVFLLTQTPFNLAMLIQSTSWEYYTITSFKYAIVVTEAIAYFRACLNPVLYAFVGLKFRKNVWKLMKDIGCLSHLGVSSQWKSSEDSSKTCSASHNVETTSMFQL
  
Inhibitor
Name:
BDBM50539483
Synonyms:
CHEMBL4637126
Type:
Small organic molecule
Emp. Form.:
C27H30F3N3O4S
Mol. Mass.:
549.605
SMILES:
[H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(cccc2s1)C(F)(F)F |r,TLB:10:8:25:4.2.3|
Structure:
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