BDBM45451 1-[1-(2,2-dimethoxyethyl)-4-ethanoyl-2,5-dimethyl-pyrrol-3-yl]ethanone::1-[4-Acetyl-1-(2,2-dimethoxy-ethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-ethanone::1-[4-acetyl-1-(2,2-dimethoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone::1-[4-acetyl-1-(2,2-dimethoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone::1-[4-acetyl-1-(2,2-dimethoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone::MLS000527941::SMR000120515::cid_713980

SMILES COC(Cn1c(C)c(C(C)=O)c(C(C)=O)c1C)OC

InChI Key InChIKey=VUYUSSQWIHTPOY-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 = 45451   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45451(MLS000527941 | 1-[4-Acetyl-1-(2,2-dimethoxy-ethyl)...)
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