BDBM32822 5-(benzylthio)-3-(2-furyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazole::MLS000536907::SMR000143544::[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone::[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone::[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::cid_2200813

SMILES O=C(c1cccs1)n1nc(nc1SCc1ccccc1)-c1ccco1

InChI Key InChIKey=MXRHYHHUIYFVKZ-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32822   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32822(MLS000536907 | [5-benzylsulfanyl-3-(furan-2-yl)-1,...)
Affinity DataIC50: 1.48E+3nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32822(MLS000536907 | [5-benzylsulfanyl-3-(furan-2-yl)-1,...)
Affinity DataIC50: 1.05E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32822(MLS000536907 | [5-benzylsulfanyl-3-(furan-2-yl)-1,...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay