Target
Mitogen-activated protein kinase kinase kinase 14
Ligand
BDBM158936
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.2±n/a
Ki
0.3±n/a nM
Comments
extracted
Citation
 Staben, SCastanedo, GMontalbetti, CAFeng, J Tricyclic compounds and methods of use therefor US Patent  US9034866 Publication Date 5/19/2015 
Target
Name:
Mitogen-activated protein kinase kinase kinase 14
Synonyms:
HsNIK | M3K14_HUMAN | MAP3K14 | NF-kappa-beta-inducing kinase | NF-kappa-beta-inducing kinase (NF-kB) | NIK | Serine/threonine-protein kinase NIK
Type:
Protein
Mol. Mass.:
104059.50
Organism:
Homo sapiens (Human)
Description:
Q99558
Residue:
947
Sequence:
MAVMEMACPGAPGSAVGQQKELPKAKEKTPPLGKKQSSVYKLEAVEKSPVFCGKWEILNDVITKGTAKEGSEAGPAAISIIAQAECENSQEFSPTFSERIFIAGSKQYSQSESLDQIPNNVAHATEGKMARVCWKGKRRSKARKKRKKKSSKSLAHAGVALAKPLPRTPEQESCTIPVQEDESPLGAPYVRNTPQFTKPLKEPGLGQLCFKQLGEGLRPALPRSELHKLISPLQCLNHVWKLHHPQDGGPLPLPTHPFPYSRLPHPFPFHPLQPWKPHPLESFLGKLACVDSQKPLPDPHLSKLACVDSPKPLPGPHLEPSCLSRGAHEKFSVEEYLVHALQGSVSSGQAHSLTSLAKTWAARGSRSREPSPKTEDNEGVLLTEKLKPVDYEYREEVHWATHQLRLGRGSFGEVHRMEDKQTGFQCAVKKVRLEVFRAEELMACAGLTSPRIVPLYGAVREGPWVNIFMELLEGGSLGQLVKEQGCLPEDRALYYLGQALEGLEYLHSRRILHGDVKADNVLLSSDGSHAALCDFGHAVCLQPDGLGKSLLTGDYIPGTETHMAPEVVLGRSCDAKVDVWSSCCMMLHMLNGCHPWTQFFRGPLCLKIASEPPPVREIPPSCAPLTAQAIQEGLRKEPIHRVSAAELGGKVNRALQQVGGLKSPWRGEYKEPRHPPPNQANYHQTLHAQPRELSPRAPGPRPAEETTGRAPKLQPPLPPEPPEPNKSPPLTLSKEESGMWEPLPLSSLEPAPARNPSSPERKATVPEQELQQLEIELFLNSLSQPFSLEEQEQILSCLSIDSLSLSDDSEKNPSKASQSSRDTLSSGVHSWSSQAEARSSSWNMVLARGRPTDTPSYFNGVKVQIQSLNGEHLHIREFHRVKVGDIATGISSQIPAAAFSLVTKDGQPVRYDMEVPDSGIDLQCTLAPDGSFAWSWRVKHGQLENRP
  
Inhibitor
Name:
BDBM158936
Synonyms:
US9034866, 411
Type:
Small organic molecule
Emp. Form.:
C20H18F3N3O2
Mol. Mass.:
389.371
SMILES:
CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)n(C(F)F)c3C3CC(C3)c2cc1F |(6.37,-.61,;5.6,.72,;7.14,.72,;5.6,2.26,;4.27,-.05,;2.93,-.82,;1.6,-1.59,;.27,-.82,;-1.07,-1.59,;-2.27,-.63,;-2.13,.91,;-3.55,1.51,;-3.95,3,;-5.44,3.4,;-2.86,4.09,;-4.56,.35,;-6.05,.75,;-7.14,-.34,;-6.45,2.24,;-3.77,-.97,;-4.44,-2.36,;-3.77,-3.75,;-2.27,-4.09,;-2.88,-2.65,;-1.07,-3.13,;.27,-3.9,;1.6,-3.13,;2.93,-3.9,)|
Structure:
Search PDB for entries with ligand similarity: