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SMILES: OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1

InChI Key: InChIKey=CJNKBAKWQGYGIS-VQHVLOKHSA-N

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 4 hits for monomerid = 373532   
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))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 770n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2WW7M16
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2WW7M16
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2WW7M16
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM373532
PNG
(US9903855, Molecule 1)
Show SMILES OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2WW7M16
More data for this
Ligand-Target Pair