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
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   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(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay
TargetCathepsin G(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32796(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
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 DepthDetails PCBioAssay