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Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM295028
Substrate
n/a
Meas. Tech.
In Vitro Inhibitory Activities on ITK
IC50
>1000±n/a nM
Citation
 Han, Y; Zhu, L; Xiao, D; Peng, Y; Luo, H Inhibitor of bruton's tyrosine kinase US Patent  US10112922 Publication Date 10/30/2018 
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:
BDBM295028
Synonyms:
US10112922, Compound 18
Type:
Small organic molecule
Emp. Form.:
C26H27N5O3
Mol. Mass.:
457.5243
SMILES:
CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1 |r,wU:9.12,6.5,(5.24,-4.53,;4.15,-5.62,;3.06,-6.7,;1.97,-7.79,;2.37,-9.28,;.49,-7.4,;.09,-5.91,;-1.4,-5.51,;-1.8,-4.02,;-.71,-2.93,;.78,-3.33,;1.18,-4.82,;-1.11,-1.45,;-.2,-.2,;-1.11,1.05,;-2.57,.57,;-3.91,1.34,;-3.91,2.88,;-5.24,.57,;-2.57,-.97,;-3.91,-1.74,;-.71,2.53,;.78,2.93,;1.18,4.42,;.09,5.51,;.49,7,;1.97,7.4,;3.06,6.31,;4.55,6.7,;4.95,8.19,;3.86,9.28,;2.37,8.88,;-1.4,5.11,;-1.8,3.62,)|
Structure:
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