Reaction Details  Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50247059
Substrate
n/a
Meas. Tech.
ChEMBL_556955 (CHEMBL958141)
IC50
304±n/a nM
Citation
 Thoma, G; Streiff, MB; Kovarik, J; Glickman, F; Wagner, T; Beerli, C; Zerwes, HG Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo. J Med Chem 51:7915-20 (2008) [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:
BDBM50247059
Synonyms:
1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea | CHEMBL518041
Type:
Small organic molecule
Emp. Form.:
C23H34N4S2
Mol. Mass.:
430.673
SMILES:
C(SC(NC12CC3CC(CC(C3)C1)C2)=NC1CCCCC1)C1=CSC2=NCCN12 |w:14.17,t:25,28,TLB:3:4:7:11.10.9,THB:5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4|
Structure:
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