Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50270018
Substrate
n/a
Meas. Tech.
ChEBML_1707951
IC50
9.2±n/a nM
Citation
 Miller, EJ; Jecs, E; Truax, VM; Katzman, BM; Tahirovic, YA; Wilson, RJ; Kuo, KM; Kim, MB; Nguyen, HH; Saindane, MT; Zhao, H; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem 61:946-979 (2018) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 4
Synonyms:
CD_antigen=CD184 | CXC-R4 | CXCR-4 | CXCR4_MOUSE | Cmkar4 | Cxcr4 | Fusin | Lestr | Leukocyte-derived seven transmembrane domain receptor | PB-CKR | Pre-B-cell-derived chemokine receptor | SDF-1 receptor | Sdf1r | Stromal cell-derived factor 1 receptor
Type:
PROTEIN
Mol. Mass.:
40435.89
Organism:
Mus musculus
Description:
ChEMBL_656729
Residue:
359
Sequence:
MEPISVSIYTSDNYSEEVGSGDYDSNKEPCFRDENVHFNRIFLPTIYFIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAMADWYFGKFLCKAVHIIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKAVYVGVWIPALLLTIPDFIFADVSQGDISQGDDRYICDRLYPDSLWMVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYVGISIDSFILLGVIKQGCDFESIVHKWISITEALAFFHCCLNPILYAFLGAKFKSSAQHALNSMSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
  
Inhibitor
Name:
BDBM50270018
Synonyms:
CHEMBL4075205
Type:
Small organic molecule
Emp. Form.:
C28H38N4O
Mol. Mass.:
446.6275
SMILES:
C(NC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
Structure:
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