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Target
C-X-C chemokine receptor type 4
Ligand
BDBM50035696
Substrate
n/a
Meas. Tech.
ChEBML_1682129
IC50
6200±n/a nM
Citation
 Di Maro, S; Di Leva, FS; Trotta, AM; Brancaccio, D; Portella, L; Aurilio, M; Tomassi, S; Messere, A; Sementa, D; Lastoria, S; Carotenuto, A; Novellino, E; Scala, S; Marinelli, L Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist. J Med Chem 60:9641-9652 (2017) [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:
BDBM50035696
Synonyms:
1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane} | 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane | 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O) | 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene | 11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane | 11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester | AMD-3100 | CHEMBL18442 | CHEMBL2311089 | PLERIXAFOR | PLERIXAFOR OCTAHYDROCHLORIDE | US9205085, MSX-162
Type:
Small organic molecule
Emp. Form.:
C28H54N8
Mol. Mass.:
502.782
SMILES:
C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Structure:
Search PDB for entries with ligand similarity: