Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 2
Ligand
BDBM50115226
Substrate
n/a
Meas. Tech.
ChEMBL_1513746 (CHEMBL3610856)
IC50
4310±n/a nM
Citation
 Schuler, AD; Engles, CA; Maeda, DY; Quinn, MT; Kirpotina, LN; Wicomb, WN; Mason, SN; Auten, RL; Zebala, JA Boronic acid-containing aminopyridine- and aminopyrimidinecarboxamide CXCR1/2 antagonists: Optimization of aqueous solubility and oral bioavailability. Bioorg Med Chem Lett 25:3793-7 (2015) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 2
Synonyms:
C-X-C chemokine receptor type 2 (CXCR-2) | C-X-C chemokine receptor type 2 (CXCR2) | CD_antigen=CD182 | CDw128b | CXCR-2 | CXCR2 | CXCR2_HUMAN | Chemokine receptor type 2 (CXCR2) | GRO/MGSA receptor | High affinity interleukin-8 receptor B | IL-8 receptor type 2 | IL-8R B | IL8RB | Interleukin-8 receptor B
Type:
Protein
Mol. Mass.:
40767.88
Organism:
Homo sapiens (Human)
Description:
P25025
Residue:
360
Sequence:
MEDFNMESDSFEDFWKGEDLSNYSYSSTLPPFLLDAAPCEPESLEINKYFVVIIYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRYLVKFICLSIWGLSLLLALPVLLFRRTVYSSNVSPACYEDMGNNTANWRMLLRILPQSFGFIVPLLIMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQETCERRNHIDRALDATEILGILHSCLNPLIYAFIGQKFRHGLLKILAIHGLISKDSLPKDSRPSFVGSSSGHTSTTL
  
Inhibitor
Name:
BDBM50115226
Synonyms:
CHEMBL3609019
Type:
Small organic molecule
Emp. Form.:
C23H20BFN6O3
Mol. Mass.:
458.253
SMILES:
OB(O)c1ccc(CN(Cc2ccccn2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Structure:
Search PDB for entries with ligand similarity: