BDBM33029 3-(4-Fluoro-3-nitro-phenylamino)-3H-isobenzofuran-1-one::3-(4-fluoro-3-nitro-anilino)phthalide::3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one::3-(4-fluoro-3-nitroanilino)-3H-isobenzofuran-1-one::3-[(4-fluoranyl-3-nitro-phenyl)amino]-3H-2-benzofuran-1-one::MLS000769676::SMR000434389::cid_5159035

SMILES [O-][N+](=O)c1cc(NC2OC(=O)c3ccccc23)ccc1F

InChI Key InChIKey=ICQCAQCYXUOKNN-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 = 33029   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33029(SMR000434389 | 3-[(4-fluoranyl-3-nitro-phenyl)amin...)
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
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33029(SMR000434389 | 3-[(4-fluoranyl-3-nitro-phenyl)amin...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay