BDBM33581 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-[(4-methoxyphenyl)acetyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::MLS000064365::SMR000076607::cid_970094

SMILES COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1

InChI Key InChIKey=GTLWZDWHNMMHMP-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 = 33581   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33581(cid_970094 | 1-(5-azanyl-3-pyridin-3-yl-1,2,4-tria...)
Affinity DataIC50: 259nMpH: 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 XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33581(cid_970094 | 1-(5-azanyl-3-pyridin-3-yl-1,2,4-tria...)
Affinity DataIC50: 937nMAssay 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:
5/6/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33581(cid_970094 | 1-(5-azanyl-3-pyridin-3-yl-1,2,4-tria...)
Affinity DataIC50: 937nMAssay 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