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Target
C-X-C chemokine receptor type 4
Ligand
BDBM50443544
Substrate
n/a
Meas. Tech.
ChEMBL_1278928 (CHEMBL3097228)
IC50
290±n/a nM
Citation
 Truax, VM; Zhao, H; Katzman, BM; Prosser, AR; Alcaraz, AA; Saindane, MT; Howard, RB; Culver, D; Arrendale, RF; Gruddanti, PR; Evers, TJ; Natchus, MG; Snyder, JP; Liotta, DC; Wilson, LJ Discovery of tetrahydroisoquinoline-based CXCR4 antagonists. ACS Med Chem Lett 4:1025-30 (2013) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 4
Synonyms:
C-X-C chemokine receptor type 4 | C-X-C chemokine receptor type 4 (CXCR4) | CD_antigen=CD184 | CXC-R4 | CXCR-4 | CXCR4 | CXCR4_HUMAN | FB22 | Fusin | HM89 | LCR1 | LESTR | Leukocyte-derived seven transmembrane domain receptor | NPYRL | SDF-1 receptor | Stromal cell-derived factor 1 receptor
Type:
Enzyme
Mol. Mass.:
39754.61
Organism:
Homo sapiens (Human)
Description:
P61073
Residue:
352
Sequence:
MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
  
Inhibitor
Name:
BDBM50443544
Synonyms:
CHEMBL3091684
Type:
Small organic molecule
Emp. Form.:
C25H34N4O
Mol. Mass.:
406.5637
SMILES:
CC(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
Structure:
Search PDB for entries with ligand similarity: