Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase TBK1
Ligand
BDBM50401911
Substrate
n/a
Meas. Tech.
ChEMBL_886437 (CHEMBL2213809)
IC50
3000±n/a nM
Citation
 McIver, EG; Bryans, J; Birchall, K; Chugh, J; Drake, T; Lewis, SJ; Osborne, J; Smiljanic-Hurley, E; Tsang, W; Kamal, A; Levy, A; Newman, M; Taylor, D; Arthur, JS; Clark, K; Cohen, P Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKe kinases. Bioorg Med Chem Lett 22:7169-73 (2012) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase TBK1
Synonyms:
T2K | TANK-binding kinase 1 | TBK1_MOUSE | Tbk1
Type:
PROTEIN
Mol. Mass.:
83429.25
Organism:
Mus musculus
Description:
ChEMBL_886437
Residue:
729
Sequence:
MQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLYAVKVFNNISFLRPVDVQMREFEVLKKLNHKNIVKLFAIEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGLPESEFLIVLRDVVGGMNHLRENGIVHRDIKPGNIMRVIGEDGQSVYKLTDFGAARELEDDEQFVSLYGTEEYLHPDMYERAVLRKDHQKKYGATVDLWSVGVTFYHAATGSLPFRPFEGPRRNKEVMYKIITGKPSGAISGVQKAENGPIDWSGDMPLSCSLSQGLQALLTPVLANILEADQEKCWGFDQFFAETSDVLHRMVIHVFSLQHMTAHKIYIHSYNTAAVFHELVYKQTKIVSSNQELIYEGRRLVLELGRLAQHFPKTTEENPIFVTSREQLNTVGLRYEKISLPKIHPRYDLDGDASMAKAVTGVVCYACRTASTLLLYQELMRKGVRWLVELVKDDYNETVHKKTEVVITLDFCIRNIEKTVKVYEKLMKVNLEAAELGEISDIHTKLLRLSSSQGTIESSLQDISSRLSPGGLLADTWAHQEGTHPRDRNVEKLQVLLNCITEIYYQFKKDKAERRLAYNEEQIHKFDKQKLYYHATKAMSHFSEECVRKYEAFKDKSEEWMRKMLHLRKQLLSLTNQCFDIEEEVSKYQDYTNELQETLPQKMLAASGGVKHAMAPIYPSSNTLVEMTLGMKKLKEEMEGVVKELAENNHILERFGSLTMDGGLRNVDCL
  
Inhibitor
Name:
BDBM50401911
Synonyms:
CHEMBL2207216
Type:
Small organic molecule
Emp. Form.:
C26H40N8O
Mol. Mass.:
480.6488
SMILES:
CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Structure:
Search PDB for entries with ligand similarity: