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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50587599
Substrate
n/a
Meas. Tech.
ITK Enzyme Assay
IC50
1.000±n/a nM
Citation
 Bagley, SW; Casimiro Garcia, A; Cheng, X; Davoren, JE; Denny, RA; Gerstenberger, BS; Lovering, FE; Parikh, MD; Strohbach, JW; Trujillo, JI Benzimidazole Derivative Compounds and Uses Thereof US Patent  US20230280220 Publication Date 9/7/2023 
Target
Name:
Tyrosine-protein kinase ITK/TSK
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
Type:
Protein
Mol. Mass.:
71839.20
Organism:
Homo sapiens (Human)
Description:
Q08881
Residue:
620
Sequence:
MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL
  
Inhibitor
Name:
BDBM50587599
Synonyms:
CHEMBL5087453 | US11661419, Example 53 | US20230280220, Example 53
Type:
Small organic molecule
Emp. Form.:
C25H30F2N6O2
Mol. Mass.:
484.5415
SMILES:
[H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(C)cc2[nH]1 |r|
Structure:
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