Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50166099
Substrate
n/a
Meas. Tech.
ChEMBL_306317 (CHEMBL827762)
IC50
>1000±n/a nM
Citation
 Tamamura, H; Araki, T; Ueda, S; Wang, Z; Oishi, S; Esaka, A; Trent, JO; Nakashima, H; Yamamoto, N; Peiper, SC; Otaka, A; Fujii, N Identification of novel low molecular weight CXCR4 antagonists by structural tuning of cyclic tetrapeptide scaffolds. J Med Chem 48:3280-9 (2005) [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:
BDBM50166099
Synonyms:
CHEMBL362983 | N-{3-[(Z)-(3R,6S,9S,14R)-6-(3-Guanidino-propyl)-9-(4-hydroxy-benzyl)-14-naphthalen-2-ylmethyl-2,5,8,11-tetraoxo-1,4,7,10tetraaza-cyclotetradec-12-en-3-yl]-propyl}-guanidine
Type:
Small organic molecule
Emp. Form.:
C36H46N10O5
Mol. Mass.:
698.8144
SMILES:
NC(=N)NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)\C=C/[C@@H](Cc2ccc3ccccc3c2)NC1=O |c:35|
Structure:
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