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BDBM68573 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester::2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000061354::SMR000070613::cid_746366::ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate::ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate::ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate

SMILES: CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1

InChI Key: InChIKey=LMBHRBWBBNYJBL-UHFFFAOYSA-N

Data: 1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 68573   
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))
BDBM68573
PNG
(2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)th...)
Show SMILES CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-2-21-14(20)11-23-16-18-17-15(13-9-6-10-22-13)19(16)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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