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BDBM64370 2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(3-methyl-piperidin-1-yl)-ethanone::4-[5-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one::4-[5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one::4-[5-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone::4-[5-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one::MLS001219536::SMR000600280::cid_5770857

SMILES: CC1CCCN(C1)C(=O)CSc1nnc(o1)-c1ccc(O)cc1

InChI Key: InChIKey=QXQOJVGXLUYCLG-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 64370   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hsf1 protein


(Mus musculus)
BDBM64370
PNG
(2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfa...)
Show SMILES CC1CCCN(C1)C(=O)CSc1nnc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-11-3-2-8-19(9-11)14(21)10-23-16-18-17-15(22-16)12-4-6-13(20)7-5-12/h4-7,11,20H,2-3,8-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair