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BDBM69148 2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadiazole::2-[(4-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole::2-[(4-fluorophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole::4-{5-[(4-fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine::MLS000675386::SMR000293265::cid_975378

SMILES: Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

InChI Key: InChIKey=IFQJLGWWSDEDCY-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 69148   
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))
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
PDB
MMDB

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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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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n/an/a 2.44E+3n/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)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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n/an/a 6.06E+3n/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)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
PDB
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n/an/a 3.43E+3n/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)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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n/an/a 2.70E+3n/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)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM69148
PNG
(2-[(4-fluorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
MMDB

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PC cid
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UniChem

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PCBioAssay
n/an/a 3.81E+3n/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)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair