BDBM32852 (E)-1-(1-benzotriazolyl)-2-methyl-3-phenyl-2-propen-1-one::(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenyl-prop-2-en-1-one::(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one::1-(2-methyl-3-phenylacryloyl)-1H-1,2,3-benzotriazole::MLS000577083::SMR000198163::cid_5737607

SMILES C\C(=C/c1ccccc1)C(=O)n1nnc2ccccc12

InChI Key InChIKey=HHJAWIYTXXKCQC-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 32852   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32852((E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-...)
Affinity DataIC50: 846nMpH: 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
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32852((E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-...)
Affinity DataIC50: 1.73E+3nMpH: 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
LigandPNGBDBM32852((E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-...)
Affinity DataIC50: 9.49E+3nMAssay 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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32852((E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-...)
Affinity DataIC50: 8.68E+3nMAssay 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:
6/8/2011
Entry Details
PCBioAssay