Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50333883
Substrate
n/a
Meas. Tech.
ChEMBL_700064 (CHEMBL1646841)
IC50
19.8±n/a nM
Citation
 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Wilson, T; Veale, D; Yee, H; Crawford, J; Skupinska, K; Wauthy, R; Yang, W; Zhu, Y; Bogucki, D; Di Fluri, M; Langille, J; Huskens, D; De Clercq, E; Schols, D Synthesis and SAR of novel CXCR4 antagonists that are potent inhibitors of T tropic (X4) HIV-1 replication. Bioorg Med Chem Lett 21:262-6 (2010) [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:
BDBM50333883
Synonyms:
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(aminomethyl)pyridin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine | CHEMBL1644080
Type:
Small organic molecule
Emp. Form.:
C24H26N6
Mol. Mass.:
398.5034
SMILES:
NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|
Structure:
Search PDB for entries with ligand similarity: