BDBM32820 1-benzotriazolyl-[4-(dimethylamino)phenyl]methanone::MLS000519114::SMR000129533::benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone::cid_694547

SMILES CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12

InChI Key InChIKey=KDBJYASZCNEBLA-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32820   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32820(SMR000129533 | 1-benzotriazolyl-[4-(dimethylamino)...)
Affinity DataIC50: 1.02E+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
LigandPNGBDBM32820(SMR000129533 | 1-benzotriazolyl-[4-(dimethylamino)...)
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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32820(SMR000129533 | 1-benzotriazolyl-[4-(dimethylamino)...)
Affinity DataIC50: 1.71E+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