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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50182841
Substrate
n/a
Meas. Tech.
ChEMBL_350435 (CHEMBL861556)
IC50
14000±n/a nM
Citation
 Das, J; Liu, C; Moquin, RV; Lin, J; Furch, JA; Spergel, SH; Doweyko, AM; McIntyre, KW; Shuster, DJ; O'Day, KD; Penhallow, B; Hung, CY; Kanner, SB; Lin, TA; Dodd, JH; Barrish, JC; Wityak, J Discovery and SAR of 2-amino-5-[(thiomethyl)aryl]thiazoles as potent and selective Itk inhibitors. Bioorg Med Chem Lett 16:2411-5 (2006) [PubMed]  Article 
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:
BDBM50182841
Synonyms:
CHEMBL205585 | N-(5-(3-acetamido-5-(1-acetylpiperazine-4-carbonyl)benzylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
Type:
Small organic molecule
Emp. Form.:
C28H32N6O4S2
Mol. Mass.:
580.721
SMILES:
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(NC(C)=O)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1
Structure:
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