BDBM45669 2-chloranyl-1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone::2-chloro-1-(1-homoveratryl-2,5-dimethyl-pyrrol-3-yl)ethanone::2-chloro-1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone::2-chloro-1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone::MLS000877957::SMR000376940::cid_2526884

SMILES COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC

InChI Key InChIKey=GTRXJYISJOBLEB-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45669   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45669BDBM45669(MLS000877957 | cid_2526884 | SMR000376940 | 2-chlo...)
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