Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50274632
Substrate
n/a
Meas. Tech.
ChEMBL_537187 (CHEMBL992563)
IC50
14±n/a nM
Citation
 Moriarty, KJ; Takahashi, H; Pullen, SS; Khine, HH; Sallati, RH; Raymond, EL; Woska, JR; Jeanfavre, DD; Roth, GP; Winters, MP; Qiao, L; Ryan, D; DesJarlais, R; Robinson, D; Wilson, M; Bobko, M; Cook, BN; Lo, HY; Nemoto, PA; Kashem, MA; Wolak, JP; White, A; Magolda, RL; Tomczuk, B Discovery, SAR and X-ray structure of 1H-benzimidazole-5-carboxylic acid cyclohexyl-methyl-amides as inhibitors of inducible T-cell kinase (Itk). Bioorg Med Chem Lett 18:5545-9 (2008) [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:
Human
Description:
Q08881
Residue:
620
Sequence:
MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL
  
Inhibitor
Name:
BDBM50274632
Synonyms:
4-cyano-N-(1-(3-(dimethylamino)-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)benzamide | CHEMBL483764
Type:
Small organic molecule
Emp. Form.:
C28H32N6O3
Mol. Mass.:
500.5921
SMILES:
CN(C)C(=O)CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: