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BDBM144151 US8969335, A88

SMILES: N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CC4(COC4)C3)cn2)c1

InChI Key: InChIKey=FOXLRMNNJOHKBL-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 = 144151   
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))
BDBM144151
PNG
(US8969335, A88)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CC4(COC4)C3)cn2)c1
Show InChI InChI=1S/C28H29N5O3/c29-13-23-11-21(2-3-25(23)36-24-6-9-34-10-7-24)22-5-8-30-27(12-22)32-26-4-1-20(14-31-26)15-33-16-28(17-33)18-35-19-28/h1-5,8,11-12,14,24H,6-7,9-10,15-19H2,(H,30,31,32)
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
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM144151
PNG
(US8969335, A88)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CC4(COC4)C3)cn2)c1
Show InChI InChI=1S/C28H29N5O3/c29-13-23-11-21(2-3-25(23)36-24-6-9-34-10-7-24)22-5-8-30-27(12-22)32-26-4-1-20(14-31-26)15-33-16-28(17-33)18-35-19-28/h1-5,8,11-12,14,24H,6-7,9-10,15-19H2,(H,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 41n/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