Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50565506
Substrate
n/a
Meas. Tech.
ChEMBL_2092195 (CHEMBL4773458)
IC50
0.400000±n/a nM
Citation
 Li, Z; Wang, X; Lin, Y; Wang, Y; Wu, S; Xia, K; Xu, C; Ma, H; Zheng, J; Luo, L; Zhu, F; He, S; Zhang, X Design, synthesis, and evaluation of pyrrolidine based CXCR4 antagonists with in vivo anti-tumor metastatic activity. Eur J Med Chem 205:0 (2020) [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:
BDBM50565506
Synonyms:
CHEMBL4792975
Type:
Small organic molecule
Emp. Form.:
C22H32N6
Mol. Mass.:
380.5297
SMILES:
CN1CCCN(CC1)c1cc(CN2CCC[C@H]2c2ncccc2C)nc(C)n1 |r|
Structure:
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