Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50431881
Substrate
n/a
Meas. Tech.
ChEMBL_952779 (CHEMBL2351028)
IC50
40±n/a nM
Citation
 Wilkinson, RA; Pincus, SH; Song, K; Shepard, JB; Weaver, AJ; Labib, ME; Teintze, M Improved guanide compounds which bind the CXCR4 co-receptor and inhibit HIV-1 infection. Bioorg Med Chem Lett 23:2197-201 (2013) [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:
BDBM50431881
Synonyms:
CHEMBL2347632 | Spermine tris-1-NapG
Type:
Small organic molecule
Emp. Form.:
C43H50N10
Mol. Mass.:
706.9241
SMILES:
NC(Nc1cccc2ccccc12)=NCCCNCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12 |w:13.15,26.27|
Structure:
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