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BDBM68926 (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-benzofuranone::(2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one::(2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazino]methyl]-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]coumaran-3-one::(2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-oxidanyl-1-benzofuran-3-one::6-Hydroxy-7-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-2-[(E)-3-(2-methoxy-phenyl)-prop-2-en-(Z)-ylidene]-benzofuran-3-one::MLS000331849::SMR000221311::cid_1953490

SMILES: COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O

InChI Key: InChIKey=DGBDTVNISBOCDB-YUMLRZHGSA-N

Data: 2 EC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 68926   
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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM68926
PNG
((2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperaziny...)
Show SMILES COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O
Show InChI InChI=1S/C25H28N2O5/c1-31-22-7-3-2-5-18(22)6-4-8-23-24(30)19-9-10-21(29)20(25(19)32-23)17-27-13-11-26(12-14-27)15-16-28/h2-10,28-29H,11-17H2,1H3/b6-4+,23-8-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.37E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68926
PNG
((2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperaziny...)
Show SMILES COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O
Show InChI InChI=1S/C25H28N2O5/c1-31-22-7-3-2-5-18(22)6-4-8-23-24(30)19-9-10-21(29)20(25(19)32-23)17-27-13-11-26(12-14-27)15-16-28/h2-10,28-29H,11-17H2,1H3/b6-4+,23-8-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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