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BDBM69279 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarbonitrile::4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile::4-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]methyl]benzonitrile::4-[[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile::MLS000687325::SMR000285069::cid_1467927

SMILES: N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

InChI Key: InChIKey=AUMUTOWDQNHFLE-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 69279   
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))
BDBM69279
PNG
(4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylme...)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-1-3-12(4-2-11)10-21-15-19-18-14(20-15)13-5-7-17-8-6-13/h1-8H,10H2
PDB
MMDB

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Similars

PCBioAssay
n/an/an/an/a 1.51E+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
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM69279
PNG
(4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylme...)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-1-3-12(4-2-11)10-21-15-19-18-14(20-15)13-5-7-17-8-6-13/h1-8H,10H2
PDB
MMDB

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Article
PubMed
n/an/a 7.38E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69279
PNG
(4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylme...)
Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H10N4OS/c16-9-11-1-3-12(4-2-11)10-21-15-19-18-14(20-15)13-5-7-17-8-6-13/h1-8H,10H2
PDB
MMDB

NCI pathway
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KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins


J Med Chem 55: 4407-24 (2012)


Article DOI: 10.1021/jm300309a
BindingDB Entry DOI: 10.7270/Q2MG7QK0
More data for this
Ligand-Target Pair