| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosine-protein kinase ITK/TSK |
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| Ligand | BDBM50522686 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1887870 (CHEMBL4389547) |
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| Kd | 5.0±n/a nM |
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| Citation |  Hopkins, BT; Bame, E; Bell, N; Bohnert, T; Bowden-Verhoek, JK; Bui, M; Cancilla, MT; Conlon, P; Cullen, P; Erlanson, DA; Fan, J; Fuchs-Knotts, T; Hansen, S; Heumann, S; Jenkins, TJ; Marcotte, D; McDowell, B; Mertsching, E; Negrou, E; Otipoby, KL; Poreci, U; Romanowski, MJ; Scott, D; Silvian, L; Yang, W; Zhong, M Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg Med Chem27:2905-2913 (2019) [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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| BDBM50522686 |
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| n/a |
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| Name | BDBM50522686 |
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| Synonyms: | CHEMBL4564973 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H33FN8O2 |
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| Mol. Mass. | 544.6231 |
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| SMILES | OCCN1CCN(C[C@H]1c1cccc(NC(=O)Nc2c(F)cccc2N2CCCC2)c1)c1ncnc2[nH]ccc12 |r| |
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| Structure | 
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