Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50337566
Substrate
n/a
Meas. Tech.
ChEMBL_728419 (CHEMBL1685195)
IC50
19±n/a nM
Citation
 Skerlj, R; Bridger, G; McEachern, E; Harwig, C; Smith, C; Kaller, A; Veale, D; Yee, H; Skupinska, K; Wauthy, R; Wang, L; Baird, I; Zhu, Y; Burrage, K; Yang, W; Sartori, M; Huskens, D; De Clercq, E; Schols, D Design of novel CXCR4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. Bioorg Med Chem Lett 21:1414-8 (2011) [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:
BDBM50337566
Synonyms:
CHEMBL1682859 | rac-N'-(3,5-Dimethylpyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C21H30N4
Mol. Mass.:
338.4897
SMILES:
Cc1cnc(CN(CCCCN)C2CCCc3cccnc23)c(C)c1
Structure:
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