| Reaction Details |
|---|
 | Report a problem with these data |
| Target | C-X-C chemokine receptor type 4 |
|---|
| Ligand | BDBM50579582 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2135895 (CHEMBL4845505) |
|---|
| IC50 | 11±n/a nM |
|---|
| Citation |  Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. ACS Med Chem Lett12:1605-1612 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| C-X-C chemokine receptor type 4 |
|---|
| 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: | MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVI
LVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNL
YSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEA
DDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKT
TVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPI
LYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
|
|
|
|---|
| BDBM50579582 |
|---|
| n/a |
|---|
| Name | BDBM50579582 |
|---|
| Synonyms: | CHEMBL4875030 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H37N5 |
|---|
| Mol. Mass. | 431.6162 |
|---|
| SMILES | [H][C@@]12CCN(C)[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
