BDBM32809 4-[2-(3-methoxy-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester::4-[2-(N-mesyl-3-methoxy-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester::4-{2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-acetyl}-piperazine-1-carboxylic acid ethyl ester::MLS000122905::SMR000123559::cid_978417::ethyl 4-[2-(3-methoxy-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate::ethyl 4-[2-[(3-methoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

SMILES CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O

InChI Key InChIKey=AQRJUILVJZPUEI-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 32809   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32809BDBM32809(ethyl 4-[2-(3-methoxy-N-methylsulfonylanilino)acet...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32809BDBM32809(ethyl 4-[2-(3-methoxy-N-methylsulfonylanilino)acet...)
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