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BDBM144149 US8969335, A86

SMILES: N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2=CCCCO2)c1

InChI Key: InChIKey=UDNWHJPQDRSGDI-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 = 144149   
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))
BDBM144149
PNG
(US8969335, A86)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2=CCCCO2)c1
Show InChI InChI=1S/C27H26N4O3/c28-18-22-15-19(4-5-25(22)34-23-8-13-32-14-9-23)20-6-10-29-26(16-20)31-27-17-21(7-11-30-27)24-3-1-2-12-33-24/h3-7,10-11,15-17,23H,1-2,8-9,12-14H2,(H,29,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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))
BDBM144149
PNG
(US8969335, A86)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2=CCCCO2)c1
Show InChI InChI=1S/C27H26N4O3/c28-18-22-15-19(4-5-25(22)34-23-8-13-32-14-9-23)20-6-10-29-26(16-20)31-27-17-21(7-11-30-27)24-3-1-2-12-33-24/h3-7,10-11,15-17,23H,1-2,8-9,12-14H2,(H,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 290n/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