BindingDB logo
myBDB logout

null

SMILES: CN(C)Cc1c(O)ccc2c1oc(C)c(-c1ccc3ccccc3n1)c2=O

InChI Key: InChIKey=ZQJOKKUKANBMAO-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 2 hits for monomerid = 39382   
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))
BDBM39382
PNG
(8-[(dimethylamino)methyl]-2-methyl-7-oxidanyl-3-qu...)
Show SMILES CN(C)Cc1c(O)ccc2c1oc(C)c(-c1ccc3ccccc3n1)c2=O
Show InChI InChI=1S/C22H20N2O3/c1-13-20(18-10-8-14-6-4-5-7-17(14)23-18)21(26)15-9-11-19(25)16(12-24(2)3)22(15)27-13/h4-11,25H,12H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM39382
PNG
(8-[(dimethylamino)methyl]-2-methyl-7-oxidanyl-3-qu...)
Show SMILES CN(C)Cc1c(O)ccc2c1oc(C)c(-c1ccc3ccccc3n1)c2=O
Show InChI InChI=1S/C22H20N2O3/c1-13-20(18-10-8-14-6-4-5-7-17(14)23-18)21(26)15-9-11-19(25)16(12-24(2)3)22(15)27-13/h4-11,25H,12H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2222S6W
More data for this
Ligand-Target Pair