BDBM45577 (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one::(E)-3-(2-chloro-6-fluoro-phenyl)-1-(4-ethylpiperazino)prop-2-en-1-one::(E)-3-(2-chloro-6-fluorophenyl)-1-(4-ethyl-1-piperazinyl)-2-propen-1-one::(E)-3-(2-chloro-6-fluorophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one::1-[3-(2-chloro-6-fluorophenyl)acryloyl]-4-ethylpiperazine::MLS000683815::SMR000272420::cid_898924

SMILES CCN1CCN(CC1)C(=O)\C=C\c1c(F)cccc1Cl

InChI Key InChIKey=WFODIYJKQCZWFD-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 = 45577   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45577BDBM45577(MLS000683815 | cid_898924 | SMR000272420 | (E)-3-(...)
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