Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50443541
Substrate
n/a
Meas. Tech.
ChEMBL_1741061 (CHEMBL4156811)
IC50
6.3±n/a nM
Citation
 Nguyen, HH; Kim, MB; Wilson, RJ; Butch, CJ; Kuo, KM; Miller, EJ; Tahirovic, YA; Jecs, E; Truax, VM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem 61:7168-7188 (2018) [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:
BDBM50443541
Synonyms:
CHEMBL3091687
Type:
Small organic molecule
Emp. Form.:
C23H32N4
Mol. Mass.:
364.527
SMILES:
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
Structure:
Search PDB for entries with ligand similarity: