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BDBM50026854 CHEMBL1957094

SMILES: COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1

InChI Key: InChIKey=OIGQZTMGBRXJGV-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026854   
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 beta


(Homo sapiens (Human))
BDBM50026854
PNG
(CHEMBL1957094)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-9-14(23-2)3-4-15(12)17-16(21-11-24-17)18(22)20-10-13-5-7-19-8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
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PC sid
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Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50026854
PNG
(CHEMBL1957094)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-9-14(23-2)3-4-15(12)17-16(21-11-24-17)18(22)20-10-13-5-7-19-8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair