| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine kinase |
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| Ligand | BDBM50339523 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_736608 (CHEMBL1694989) |
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| IC50 | 2500±n/a nM |
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| Citation |  Butini, S; Gemma, S; Brindisi, M; Borrelli, G; Lossani, A; Ponte, AM; Torti, A; Maga, G; Marinelli, L; La Pietra, V; Fiorini, I; Lamponi, S; Campiani, G; Zisterer, DM; Nathwani, SM; Sartini, S; La Motta, C; Da Settimo, F; Novellino, E; Focher, F Non-nucleoside inhibitors of human adenosine kinase: synthesis, molecular modeling, and biological studies. J Med Chem54:1401-20 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Adenosine kinase |
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| Name: | Adenosine kinase |
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| Synonyms: | ADK | ADK_HUMAN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 40545.97 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1467841 |
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| Residue: | 362 |
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| Sequence: | MAAAEEEPKPKKLKVEAPQALRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAED
KHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKA
AEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKAR
VCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGN
ETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFA
VLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPD
FH
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| BDBM50339523 |
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| n/a |
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| Name | BDBM50339523 |
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| Synonyms: | (+/-)-6-Ethyl-6-[4-[(4-iodophenylthio)methyl]phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one | CHEMBL1688506 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H22INO2S |
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| Mol. Mass. | 551.439 |
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| SMILES | CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(I)cc2)cc1 |
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| Structure | 
|
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