BDBM40347 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide::2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide::2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide::MLS000058710::SMR000067215::cid_2997841

SMILES O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1

InChI Key InChIKey=UGEAOHAHWYPTFF-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 = 40347   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 40347BDBM40347(2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoi...)
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:
5/6/2011
Entry Details
PCBioAssay