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BDBM70093 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-fluorophenyl)methylideneamino]-5-[(N-methylanilino)methyl]-4-triazolecarboxamide::1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-fluorophenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide::1-(4-aminofurazan-3-yl)-N-[(3-fluorobenzylidene)amino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide::1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(3-fluorophenyl)methylideneamino]-5-[[methyl(phenyl)amino]methyl]-1,2,3-triazole-4-carboxamide::MLS001141039::SMR000650086::cid_1950328

SMILES: CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(F)c1)c1ccccc1

InChI Key: InChIKey=DMIQDFVAWYLMBO-FOKLQQMPSA-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 = 70093   
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))
BDBM70093
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-fluoropheny...)
Show SMILES CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C20H18FN9O2/c1-29(15-8-3-2-4-9-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-6-5-7-14(21)10-13/h2-11H,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.56E+4n/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