BDBM32824 (3-Amino-[1,2,4]triazol-4-yl)-(3,5-dimethoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone::MLS000557385::SMR000148302::cid_936917

SMILES COc1cc(OC)cc(c1)C(=O)n1cnnc1N

InChI Key InChIKey=ITJOJULATKBZRP-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 32824   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32824(SMR000148302 | cid_936917 | (3-Amino-[1,2,4]triazo...)
Affinity DataIC50: 376nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32824(SMR000148302 | cid_936917 | (3-Amino-[1,2,4]triazo...)
Affinity DataIC50: 100nMpH: 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
LigandPNGBDBM32824(SMR000148302 | cid_936917 | (3-Amino-[1,2,4]triazo...)
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
LigandPNGBDBM32824(SMR000148302 | cid_936917 | (3-Amino-[1,2,4]triazo...)
Affinity DataIC50: 376nMAssay 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