BDBM32708 3-({[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}methyl)benzoic acid::3-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid::3-[[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid::MLS000531176::SMR000136154::cid_1261055

SMILES COc1cc(OC)cc(c1)-c1nnc(SCc2cccc(c2)C(O)=O)o1

InChI Key InChIKey=DJVAQDHVRRGQLI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32708   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32708(3-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]s...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...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
LigandPNGBDBM32708(3-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]s...)
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 XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32708(3-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]s...)
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:
4/30/2011
Entry Details
PCBioAssay