| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosine-protein kinase ITK/TSK |
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| Ligand | BDBM50442158 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_993112 (CHEMBL2446687) |
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| Ki | 3981±n/a nM |
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| Citation |  Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Tyrosine-protein kinase ITK/TSK |
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| Name: | Tyrosine-protein kinase ITK/TSK |
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| Synonyms: | EMT | ITK | ITK_HUMAN | Kinase EMT | LYK | T-cell-specific kinase | Tyrosine-protein kinase ITK | Tyrosine-protein kinase ITK (ITK) | Tyrosine-protein kinase Lyk |
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| Type: | Protein |
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| Mol. Mass.: | 71839.20 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q08881 |
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| Residue: | 620 |
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| Sequence: | MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRI
KCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKY
HPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALY
DYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWY
NKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETND
NPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDP
SELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQ
LYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIH
RDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSD
VWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPE
DRPAFSRLLRQLAEIAESGL
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| BDBM50442158 |
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| n/a |
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| Name | BDBM50442158 |
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| Synonyms: | CHEMBL2441111 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H21F3N6O2S |
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| Mol. Mass. | 514.523 |
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| SMILES | COc1ccc2nc(Nc3cc(nc(n3)N3CCC[C@H]3C(N)=O)C(F)(F)c3ccc(F)cc3)sc2c1 |r| |
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| Structure | 
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