Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50333881
Substrate
n/a
Meas. Tech.
ChEMBL_700061 (CHEMBL1646838)
IC50
15±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:
BDBM50333881
Synonyms:
4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzamide | CHEMBL1644078
Type:
Small organic molecule
Emp. Form.:
C26H28N6O
Mol. Mass.:
440.5401
SMILES:
NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(N)=O
Structure:
Search PDB for entries with ligand similarity: