BDBM45434 2-[1,3,5,7-tetrakis(oxidanylidene)-2-(2-propanoyloxyethyl)pyrrolo[3,4-f]isoindol-6-yl]ethyl propanoate::2-[1,3,5,7-tetraoxo-2-(2-propanoyloxyethyl)pyrrolo[3,4-f]isoindol-6-yl]ethyl propanoate::MLS000107173::SMR000111545::cid_1368289::propanoic acid 2-[1,3,5,7-tetraoxo-2-[2-(1-oxopropoxy)ethyl]-6-pyrrolo[3,4-f]isoindolyl]ethyl ester::propionic acid 2-[1,3,5,7-tetraketo-2-(2-propionyloxyethyl)pyrrol[3,4-f]isoindol-6-yl]ethyl ester

SMILES CCC(=O)OCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCOC(=O)CC)c3=O

InChI Key InChIKey=AATHMCGKYVGPJC-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 = 45434   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45434BDBM45434(2-[1,3,5,7-tetrakis(oxidanylidene)-2-(2-propanoylo...)
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