Reaction Details  Report a problem with these data
Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50274747
Substrate
n/a
Meas. Tech.
ChEMBL_537167 (CHEMBL992543)
IC50
23±n/a nM
Citation
 Moriarty, KJ; Winters, M; Qiao, L; Ryan, D; DesJarlis, R; Robinson, D; Cook, BN; Kashem, MA; Kaplita, PV; Liu, LH; Farrell, TM; Khine, HH; King, J; Pullen, SS; Roth, GP; Magolda, R; Takahashi, H Itk kinase inhibitors: initial efforts to improve the metabolical stability and the cell activity of the benzimidazole lead. Bioorg Med Chem Lett 18:5537-40 (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:
Homo sapiens (Human)
Description:
Q08881
Residue:
620
Sequence:
MNNFILLEEQLIKKSQQKRRTSPSNFKVRFFVLTKASLAYFEDRHGKKRTLKGSIELSRIKCVEIVKSDISIPCHYKYPFQVVHDNYLLYVFAPDRESRQRWVLALKEETRNNNSLVPKYHPNFWMDGKWRCCSQLEKLATGCAQYDPTKNASKKPLPPTPEDNRRPLWEPEETVVIALYDYQTNDPQELALRRNEEYCLLDSSEIHWWRVQDRNGHEGYVPSSYLVEKSPNNLETYEWYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYHQHNGGGLVTRLRYPVCFGRQKAPVTAGLRYGKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGL
  
Inhibitor
Name:
BDBM50274747
Synonyms:
CHEMBL457705 | N-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2-yl)-6-cyanonicotinamide
Type:
Small organic molecule
Emp. Form.:
C25H21N7O3
Mol. Mass.:
467.4793
SMILES:
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(nc3)C#N)nc2c1
Structure:
Search PDB for entries with ligand similarity: