BDBM63609 4-methyl-3-[3-[3-(trifluoromethyl)benzyl]oxy-2-thienyl]-1H-1,2,4-triazole-5-thione::4-methyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]-2-thiophenyl]-1H-1,2,4-triazole-5-thione::4-methyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-1H-1,2,4-triazole-5-thione::4-methyl-5-(3-{[3-(trifluoromethyl)benzyl]oxy}-2-thienyl)-4H-1,2,4-triazole-3-thiol::MLS000692156::SMR000333833::cid_1482515

SMILES Cn1c(n[nH]c1=S)-c1sccc1OCc1cccc(c1)C(F)(F)F

InChI Key InChIKey=JGPSODNQURDKFU-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 63609   

TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63609(SMR000333833 | 4-methyl-5-(3-{[3-(trifluoromethyl)...)
Affinity DataIC50: 7.30E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63609(SMR000333833 | 4-methyl-5-(3-{[3-(trifluoromethyl)...)
Affinity DataIC50: 2.29E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63609(SMR000333833 | 4-methyl-5-(3-{[3-(trifluoromethyl)...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63609(SMR000333833 | 4-methyl-5-(3-{[3-(trifluoromethyl)...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM63609(SMR000333833 | 4-methyl-5-(3-{[3-(trifluoromethyl)...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay