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BDBM158936 US9034866, 411

SMILES: CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)n(C(F)F)c3C3CC(C3)c2cc1F

InChI Key: InChIKey=HQMFQPFCBZKDAO-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 158936   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158936
PNG
(US9034866, 411)
Show 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,)|
Show InChI InChI=1S/C20H18F3N3O2/c1-20(2,28)4-3-9-7-13-12(8-14(9)21)10-5-11(6-10)16-15(13)25-18(17(24)27)26(16)19(22)23/h7-8,10-11,19,28H,5-6H2,1-2H3,(H2,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair