BDBM32786 3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid methyl ester::3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid methyl ester::MLS000066623::SMR000082512::cid_2238286::methyl 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate::methyl 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate::methyl 3-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino}benzoate

SMILES COC(=O)c1cccc(NC(=O)CSc2nnc[nH]2)c1

InChI Key InChIKey=GGLBDHZEAFGWRL-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 32786   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32786(methyl 3-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino...)
Affinity DataIC50: 5.00E+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
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32786(methyl 3-{[(4H-1,2,4-triazol-3-ylthio)acetyl]amino...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay