Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 5
Ligand
BDBM94074
Substrate
n/a
IC50
1450±n/a nM
Citation
 PubChem, PC Dose Response counterscreen of small molecule antagonists of the CXCR6 receptor using a CXCR5 receptor luminescent beta-arrestin assay PubChem Bioassay (2012)[AID] 
Target
Name:
C-X-C chemokine receptor type 5
Synonyms:
BLR1 | C-X-C chemokine receptor type 5 | C-X-C chemokine receptor type 5 isoform 1 | CXCR5 | CXCR5_HUMAN | MDR15
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41967.48
Organism:
Homo sapiens (Human)
Description:
gi_4502415
Residue:
372
Sequence:
MNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF
  
Inhibitor
Name:
BDBM94074
Synonyms:
2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide | 2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide | MLS002320129 | N-benzyl-2-[(2S,6S,8E,12S)-12-(4-fluorobenzyl)-5,13-diketo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide | N-benzyl-2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide | SMR001337754 | cid_44201662
Type:
Small organic molecule
Emp. Form.:
C35H39FN2O5
Mol. Mass.:
586.693
SMILES:
OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
Structure:
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