Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50587593
Substrate
n/a
Meas. Tech.
ITK Enzyme Assay
IC50
3.00±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  US11661419 Publication Date 5/30/2023 
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:
BDBM50587593
Synonyms:
CHEMBL5088468 | US11661419, Example 11 | US20230280220, Example 11
Type:
Small organic molecule
Emp. Form.:
C24H27F2N5O2
Mol. Mass.:
455.5003
SMILES:
[H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(ccc2[nH]1)N(C)C(=O)C(F)(F)C1CCOCC1 |r|
Structure:
Search PDB for entries with ligand similarity: