Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase ITK/TSK
Ligand
BDBM50212760
Substrate
n/a
Meas. Tech.
ChEMBL_447340 (CHEMBL896374)
IC50
6900±n/a nM
Citation
 Snow, RJ; Abeywardane, A; Campbell, S; Lord, J; Kashem, MA; Khine, HH; King, J; Kowalski, JA; Pullen, SS; Roma, T; Roth, GP; Sarko, CR; Wilson, NS; Winters, MP; Wolak, JP; Cywin, CL Hit-to-lead studies on benzimidazole inhibitors of ITK: discovery of a novel class of kinase inhibitors. Bioorg Med Chem Lett 17:3660-5 (2007) [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:
BDBM50212760
Synonyms:
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(4-nitrobenzamido)-1H-benzo[d]imidazole-5-carboxamide | CHEMBL392048
Type:
Small organic molecule
Emp. Form.:
C25H28N6O5
Mol. Mass.:
492.527
SMILES:
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc2c1
Structure:
Search PDB for entries with ligand similarity: