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BDBM158794 US9034866, 269

SMILES: Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc([nH]c3C3CC(C3)c2cc1F)C(N)=O

InChI Key: InChIKey=MROXARJVDJSCRJ-CRWVZPIANA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 158794   
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))
BDBM158794
PNG
(US9034866, 269)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc([nH]c3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(6.29,5.03,;5.52,3.69,;5.99,2.23,;4.75,1.32,;3.5,2.23,;3.98,3.69,;4.75,-.22,;5.15,-1.7,;6.08,-.99,;3.41,-.99,;2.08,-1.76,;.75,-2.53,;-.59,-1.76,;-1.92,-2.53,;-3.12,-1.57,;-2.99,-.03,;-4.4,.57,;-5.42,-.59,;-4.63,-1.91,;-5.29,-3.3,;-4.63,-4.68,;-3.12,-5.03,;-3.68,-3.61,;-1.92,-4.07,;-.59,-4.84,;.75,-4.07,;2.08,-4.84,;-4.8,2.06,;-3.71,3.15,;-6.29,2.46,)|
Show InChI InChI=1/C22H19FN4O3/c1-10-5-17(27-30-10)22(2,29)4-3-11-8-15-14(9-16(11)23)12-6-13(7-12)18-19(15)26-21(25-18)20(24)28/h5,8-9,12-13,29H,6-7H2,1-2H3,(H2,24,28)(H,25,26)/t12?,13?,22-/s2
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.200n/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