BDBM32676 (3-amino-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)methanone::4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000063609::SMR000075231::cid_912604

SMILES Cc1cc(C)cc(c1)C(=O)n1cnnc1N

InChI Key InChIKey=DCEIJDRLZJWLKF-UHFFFAOYSA-N

Data  9 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 2 hits for monomerid = 32676   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 1.40E+3nMpH: 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
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 1.40E+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