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BDBM144184 US8969335, A5

SMILES: Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1

InChI Key: InChIKey=UYIHWPCEDZKSLA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 144184   
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))
BDBM144184
PNG
(US8969335, A5)
Show SMILES Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C21H21N5O2/c1-26-9-5-20(25-26)24-21-13-16(4-8-23-21)15-2-3-19(17(12-15)14-22)28-18-6-10-27-11-7-18/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,23,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/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
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144184
PNG
(US8969335, A5)
Show SMILES Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1
Show InChI InChI=1S/C21H21N5O2/c1-26-9-5-20(25-26)24-21-13-16(4-8-23-21)15-2-3-19(17(12-15)14-22)28-18-6-10-27-11-7-18/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 97n/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