BDBM32795 (3-amino-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)methanone::4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000063159::SMR000072096::cid_887464

SMILES Cc1ccc(cc1C)C(=O)n1cnnc1N

InChI Key InChIKey=NLGIEPHLRWKDDF-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 32795   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32795(4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine |...)
Affinity DataIC50: 1.87E+3nMpH: 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
LigandPNGBDBM32795(4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine |...)
Affinity DataIC50: 3.59E+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
LigandPNGBDBM32795(4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine |...)
Affinity DataIC50: 2.98E+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:
5/6/2011
Entry Details
PCBioAssay
TargetCathepsin G(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32795(4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine |...)
Affinity DataIC50: 1.58E+3nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32795(4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine |...)
Affinity DataIC50: 2.98E+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
LigandPNGBDBM32795(4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine |...)
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:
6/8/2011
Entry Details
PCBioAssay