BDBM32881 MLS000706208::SMR000288260::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_977140

SMILES COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1

InChI Key InChIKey=FLJAMCIHLYTQCT-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 32881   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32881(MLS000706208 | SMR000288260 | [3-(2-furanyl)-5-(me...)
Affinity DataIC50:  1nMpH: 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
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32881(MLS000706208 | SMR000288260 | [3-(2-furanyl)-5-(me...)
Affinity DataIC50:  76nMAssay 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
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32881(MLS000706208 | SMR000288260 | [3-(2-furanyl)-5-(me...)
Affinity DataIC50:  159nMAssay 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
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32881(MLS000706208 | SMR000288260 | [3-(2-furanyl)-5-(me...)
Affinity DataIC50:  34.2nMpH: 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