BDBM45510 3-[[(E)-3-(2,6-dichlorophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester::3-[[(E)-3-(2,6-dichlorophenyl)acryloyl]amino]thiophene-2-carboxylic acid methyl ester::MLS000538062::SMR000159484::cid_998138::methyl 3-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate::methyl 3-[[(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-enoyl]amino]thiophene-2-carboxylate::methyl 3-{[3-(2,6-dichlorophenyl)acryloyl]amino}-2-thiophenecarboxylate

SMILES COC(=O)c1sccc1NC(=O)\C=C\c1c(Cl)cccc1Cl

InChI Key InChIKey=WFJSYTNCVIRTKT-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 = 45510   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45510BDBM45510(methyl 3-[[(E)-3-[2,6-bis(chloranyl)phenyl]prop-2-...)
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