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SMILES: NCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1

InChI Key: InChIKey=HWCQSDRAAGDSRX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 144206   
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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM144206
PNG
(US8969335, A30)
Show SMILES NCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1
Show InChI InChI=1S/C29H35N7O3/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-32-28(16-23)34-25-19-33-36(20-25)12-6-21-4-10-35(11-5-21)29(37)18-31/h1-3,9,15-16,19-21,26H,4-8,10-14,18,31H2,(H,32,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 45n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144206
PNG
(US8969335, A30)
Show SMILES NCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1
Show InChI InChI=1S/C29H35N7O3/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-32-28(16-23)34-25-19-33-36(20-25)12-6-21-4-10-35(11-5-21)29(37)18-31/h1-3,9,15-16,19-21,26H,4-8,10-14,18,31H2,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 42n/an/an/an/a7.530



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)


BindingDB Entry DOI: 10.7270/Q25X27NN
More data for this
Ligand-Target Pair