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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 32676   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 275nMAssay 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
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
TargetCathepsin G(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 3.88E+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 XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 3.92E+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 XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 4.01E+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 XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32676(cid_912604 | (3-azanyl-1,2,4-triazol-4-yl)-(3,5-di...)
Affinity DataIC50: 4.01E+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:
4/30/2011
Entry Details
PCBioAssay