BDBM32671 3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1H-1,2,4-triazole::MLS000063602::SMR000075208::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-thienyl)methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone::cid_976329

SMILES CSc1nc(nn1C(=O)c1cccs1)-c1ccco1

InChI Key InChIKey=WAZLNMJDGBJWQY-UHFFFAOYSA-N

Data  8 IC50  2 EC50

  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 10 hits for monomerid = 32671   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataIC50:  1.16E+4nMpH: 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
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
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
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataIC50:  1.97E+3nMpH: 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
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataIC50:  880nMAssay 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
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataEC50:  2.47E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
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
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataIC50:  1.16E+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
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataIC50:  501nMAssay 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
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataEC50:  4.28E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCathepsin G(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32671(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Affinity DataIC50:  1.78E+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