BDBM32749 MLS000536748::N-[(4-nitrophenoxy)-oxo-phenyl--sulfanylidene]carbamic acid ethyl ester::N-[keto-(4-nitrophenoxy)-phenyl-persulfuranylidene]carbamic acid ethyl ester::SMR000155660::cid_2305429::ethyl N-[(4-nitrophenoxy)-oxidanylidene-phenyl--sulfanylidene]carbamate::ethyl N-[(4-nitrophenoxy)-oxo-phenyl--sulfanylidene]carbamate

SMILES CCOC(=O)N=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1

InChI Key InChIKey=YNRVAAJKESHWBF-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 = 32749   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32749(N-[(4-nitrophenoxy)-oxo-phenyl--sulfanylidene]carb...)
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 XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32749(N-[(4-nitrophenoxy)-oxo-phenyl--sulfanylidene]carb...)
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:
4/30/2011
Entry Details
PCBioAssay