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BDBM68566 5-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester::5-[[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester::MLS000049439::SMR000075404::cid_2200375::methyl 5-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-2-furoate::methyl 5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate

SMILES: COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1

InChI Key: InChIKey=AVMFKGTWWBWZLN-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 68566   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM68566
PNG
(5-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]meth...)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1
Show InChI InChI=1S/C14H11N3O4S/c1-19-13(18)11-3-2-10(20-11)8-22-14-17-16-12(21-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.10E+4n/an/an/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 (2012)


Article DOI: 10.1016/j.bioorg.2016.07.011
BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68566
PNG
(5-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]meth...)
Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1
Show InChI InChI=1S/C14H11N3O4S/c1-19-13(18)11-3-2-10(20-11)8-22-14-17-16-12(21-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.25E+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