| Reaction Details |
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 | Report a problem with these data |
| Target | C-X-C chemokine receptor type 4 |
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| Ligand | BDBM50270037 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1707933 (CHEMBL4059166) |
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| IC50 | 17±n/a nM |
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| 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 Chem61:946-979 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| C-X-C chemokine receptor type 4 |
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| Name: | C-X-C chemokine receptor type 4 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 39754.61 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P61073 |
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| Residue: | 352 |
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| Sequence: | MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVI
LVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNL
YSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEA
DDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKT
TVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPI
LYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
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| BDBM50270037 |
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| n/a |
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| Name | BDBM50270037 |
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| Synonyms: | CHEMBL4070843 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H42N4O2S |
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| Mol. Mass. | 510.734 |
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| SMILES | O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r| |
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| Structure | 
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