Reaction Details |
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Target | Adenosine kinase |
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Ligand | BDBM50339503 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_736608 (CHEMBL1694989) |
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IC50 | 200000±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 |
Synonyms: | ADK | ADK_HUMAN |
Type: | PROTEIN |
Mol. Mass.: | 40545.97 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1467841 |
Residue: | 362 |
Sequence: | MAAAEEEPKPKKLKVEAPQALRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAED
KHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKA
AEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKAR
VCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGN
ETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFA
VLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPD
FH
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BDBM50339503 |
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n/a |
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Name | BDBM50339503 |
Synonyms: | (+/-)-6-Ethyl-6-[4-[3-(2-diethylamino)ethylphenoxymethyl]-phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one | CHEMBL1688586 |
Type | Small organic molecule |
Emp. Form. | C33H36N2O3 |
Mol. Mass. | 508.6505 |
SMILES | CCN(CC)CCc1cccc(OCc2ccc(cc2)C2(CC)Oc3ccccc3-n3cccc3C2=O)c1 |
Structure |
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