BindingDB logo
myBDB logout

null

SMILES: OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

InChI Key: InChIKey=BEYDVFUQKWNRPT-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 = 50377240   
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))
BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 375n/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