Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50247095
Substrate
n/a
Meas. Tech.
ChEMBL_556953 (CHEMBL958139)
IC50
1533±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:
BDBM50247095
Synonyms:
1-(4-tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea | CHEMBL462588
Type:
Small organic molecule
Emp. Form.:
C23H38N4S2
Mol. Mass.:
434.705
SMILES:
CC(C)(C)C1CCC(CC1)NC(SCC1=CSC2=NCCN12)=NC1CCCCC1 |w:22.25,t:15,18,(1.45,-6.95,;.12,-7.73,;-.66,-6.4,;.91,-9.05,;-1.2,-8.52,;-1.18,-10.05,;-2.49,-10.83,;-3.83,-10.09,;-3.86,-8.56,;-2.54,-7.77,;-5.15,-10.87,;-5.13,-12.4,;-3.79,-13.16,;-2.46,-12.37,;-1.11,-12.98,;.27,-12.28,;1.36,-13.37,;.66,-14.74,;.9,-16.27,;-.48,-16.98,;-1.58,-15.88,;-.87,-14.5,;-6.49,-13.17,;-6.49,-14.71,;-7.83,-15.47,;-7.85,-17.01,;-6.52,-17.79,;-5.18,-17.03,;-5.16,-15.48,)|
Structure:
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