BDBM32697 (3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527913::SMR000120487::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone::cid_1088427

SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1

InChI Key InChIKey=WHPLFFUAOTXPOV-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 = 32697   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
Affinity DataIC50:  2.07E+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 DepthDetails PCBioAssay
TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
Affinity DataIC50:  82nMpH: 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
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
Affinity DataIC50: >5.00E+4nMpH: 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
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
Affinity DataIC50:  852nMAssay 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
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
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 Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
Affinity DataIC50:  2.07E+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
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32697((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...)
Affinity DataIC50: >5.00E+4nMpH: 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