BDBM33046 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]acetamide::2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furanyl)ethenyl]-6H-1-benzothiophen-2-yl]acetamide::2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methyl-2-furyl)vinyl]-6H-benzothiophen-2-yl]acetamide::2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]ethanamide::MLS000097571::SMR000063176::cid_2079240

SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1

InChI Key InChIKey=TYXRBQCLSBITKN-FNORWQNLSA-N

Data  9 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 11 hits for monomerid = 33046   

TargetBcl-2-related protein A1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataEC50:  4.19E+3nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  9.38E+3nMpH: 7.0 T: 2°CAssay Description:The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  900nMpH: 8.0 T: 2°CAssay Description:A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  1.98E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  1.98E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-like protein 2(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataEC50:  6.38E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  2.84E+4nMAssay Description:The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  4.69E+4nMAssay Description:The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM33046(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  1.78E+4nMAssay Description:The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay