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SMILES: OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1

InChI Key: InChIKey=LCIMOJQEZXDWTA-UHFFFAOYSA-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 3 hits for monomerid = 50377236   
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
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50377236
PNG
(CHEMBL402969)
Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50377236
PNG
(CHEMBL402969)
Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377236
PNG
(CHEMBL402969)
Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair