BDBM33575 1-(2-furoyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H-1,2,4-triazole::2-furanyl-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::2-furyl-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::MLS000049402::SMR000075338::cid_976556::furan-2-yl-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone

SMILES COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)c1ccco1

InChI Key InChIKey=WYWOFXVQVFMJML-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 33575   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33575(1-(2-furoyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H...)
Affinity DataIC50:  1.14E+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 DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33575(1-(2-furoyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H...)
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
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33575(1-(2-furoyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H...)
Affinity DataIC50:  1.56E+4nMAssay 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