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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50182863
Substrate
n/a
Meas. Tech.
ChEMBL_350435 (CHEMBL861556)
IC50
40±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:
BDBM50182863
Synonyms:
CHEMBL207329 | N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylbenzylthio)thiazol-2-yl)-4-(piperazin-1-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C30H36N6O3S2
Mol. Mass.:
592.775
SMILES:
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(cc3)N3CCNCC3)s2)cc(C)c1C
Structure:
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