Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase 14
Ligand
BDBM312794
Substrate
n/a
Meas. Tech.
ChEMBL_1760741 (CHEMBL4195749)
IC50
4300±n/a nM
Citation
Blaquiere, N; Castanedo, GM; Burch, JD; Berezhkovskiy, LM; Brightbill, H; Brown, S; Chan, C; Chiang, PC; Crawford, JJ; Dong, T; Fan, P; Feng, J; Ghilardi, N; Godemann, R; Gogol, E; Grabbe, A; Hole, AJ; Hu, B; Hymowitz, SG; Alaoui Ismaili, MH; Le, H; Lee, P; Lee, W; Lin, X; Liu, N; McEwan, PA; McKenzie, B; Silvestre, HL; Suto, E; Sujatha-Bhaskar, S; Wu, G; Wu, LC; Zhang, Y; Zhong, Z; Staben, ST Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-?B Inducing Kinase. J Med Chem 61:6801-6813 (2018) [PubMed] Article
More Info.:
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:
BDBM312794
Synonyms:
5-amino-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-pyrroli- din-3-yl]ethynyl]-2-pyri- diyl]pyrazole-3-carboxamide | US9605005, Example 83
Type:
Small organic molecule
Emp. Form.:
C16H16N6O3
Mol. Mass.:
340.3366
SMILES:
CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2N)C(N)=O)C1=O |r|