Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase TBK1
Ligand
BDBM478714
Substrate
n/a
Meas. Tech.
TBK1 Low ATP Kinase Assay
IC50
1.60±n/a nM
Citation
 Schulze, V; Heinrich, T; Prinz, F; Lefranc, J; Schröder, J; Mengel, A; Bone, W; Bálint, J; Wengner, AM; Eis, K; Irlbacher, H; Koppitz, M; Bömer, U; Bader, B; Briem, H; Lienau, P; Christ, C; Stöckigt, D; Hillig, R Heteroarylbenzimidazole compounds US Patent  US10894784 Publication Date 1/19/2021 
Target
Name:
Serine/threonine-protein kinase TBK1
Synonyms:
NAK | NF-kappa-B-activating kinase | Protein cereblon/Serine/threonine-protein kinase TBK1 | T2K | TANK-binding kinase 1 (TBK-1) | TANK-binding kinase 1 (TBK1) | TBK1 | TBK1_HUMAN
Type:
protein
Mol. Mass.:
83645.20
Organism:
Homo sapiens (Human)
Description:
Q9UHD2
Residue:
729
Sequence:
MQSTSNHLWLLSDILGQGATANVFRGRHKKTGDLFAIKVFNNISFLRPVDVQMREFEVLKKLNHKNIVKLFAIEEETTTRHKVLIMEFCPCGSLYTVLEEPSNAYGLPESEFLIVLRDVVGGMNHLRENGIVHRDIKPGNIMRVIGEDGQSVYKLTDFGAARELEDDEQFVSLYGTEEYLHPDMYERAVLRKDHQKKYGATVDLWSIGVTFYHAATGSLPFRPFEGPRRNKEVMYKIITGKPSGAISGVQKAENGPIDWSGDMPVSCSLSRGLQVLLTPVLANILEADQEKCWGFDQFFAETSDILHRMVIHVFSLQQMTAHKIYIHSYNTATIFHELVYKQTKIISSNQELIYEGRRLVLEPGRLAQHFPKTTEENPIFVVSREPLNTIGLIYEKISLPKVHPRYDLDGDASMAKAITGVVCYACRIASTLLLYQELMRKGIRWLIELIKDDYNETVHKKTEVVITLDFCIRNIEKTVKVYEKLMKINLEAAELGEISDIHTKLLRLSSSQGTIETSLQDIDSRLSPGGSLADAWAHQEGTHPKDRNVEKLQVLLNCMTEIYYQFKKDKAERRLAYNEEQIHKFDKQKLYYHATKAMTHFTDECVKKYEAFLNKSEEWIRKMLHLRKQLLSLTNQCFDIEEEVSKYQEYTNELQETLPQKMFTASSGIKHTMTPIYPSSNTLVEMTLGMKKLKEEMEGVVKELAENNHILERFGSLTMDGGLRNVDCL
  
Inhibitor
Name:
BDBM478714
Synonyms:
1-(4-{(1R or 1S)-1-[2-({6-[6-(3,3-difluoroazetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-benzimidazol-2-yl}amino)pyridin-4-yl]ethyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one | US10894784, Example 113.02
Type:
Small organic molecule
Emp. Form.:
C29H30F5N9O2
Mol. Mass.:
631.5996
SMILES:
COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1)N1CC(F)(F)C1
Structure:
Search PDB for entries with ligand similarity: