BDBM45629 2-thiophenecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl] ester::MLS000709848::SMR000287011::[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl] thiophene-2-carboxylate::[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate::cid_3220269::thiophene-2-carboxylic acid [2-methyl-1-(piperonylcarbamoyl)propyl] ester

SMILES CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccc2OCOc2c1

InChI Key InChIKey=FCUMDOBUJVHWIM-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45629   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45629BDBM45629([1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-ox...)
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