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BDBM71829 2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)-N-(2-thienylmethyl)acetamide::2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide::2-[[1-(2-methylsulfanylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide::2-[[1-[2-(methylthio)phenyl]-5-tetrazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide::2-[[1-[2-(methylthio)phenyl]tetrazol-5-yl]thio]-N-(2-thenyl)acetamide::MLS000051467::SMR000079828::cid_2224556

SMILES: CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1

InChI Key: InChIKey=KPWNGUAFUWNDIH-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 71829   
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
Hsf1 protein


(Mus musculus)		BDBM71829
PNG
(2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio...)
Show SMILES CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1
Show InChI InChI=1S/C15H15N5OS3/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,16,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+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: Confirmation testing of small molecules identifie...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair