BDBM32796 MLS000115326::SMR000092470::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::cid_1088428

SMILES CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1

InChI Key InChIKey=QOLOIIDNXILJRE-UHFFFAOYSA-N

Data  7 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 = 32796   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
Affinity DataIC50: 160nMpH: 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
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
Affinity DataIC50: 531nMpH: 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
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
Affinity DataIC50: 900nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
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 Pennsyl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetCathepsin G(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
Affinity DataIC50: 1.02E+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
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
Affinity DataIC50: 2.46E+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
LigandPNGBDBM32796([3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-y...)
Affinity DataIC50: 230nMAssay 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