BDBM41585 (E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-penten-3-one::(E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one::4,4-Dimethyl-1-(3-nitro-phenyl)-2-[1,2,4]triazol-1-yl-pent-1-en-3-one::MLS000527232::SMR000117706::cid_5759185

SMILES CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1

InChI Key InChIKey=VKSOIYNNOFGGES-MDWZMJQESA-N

Data  9 IC50  3 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 12 hits for monomerid = 41585   

TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  3.80E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  2.92E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEukaryotic translation initiation factor 2-alpha kinase 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataEC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEukaryotic translation initiation factor 2-alpha kinase 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataEC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetVacuolar aminopeptidase 1(Saccharomyces cerevisiae)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataEC50:  6.82E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  852nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApelin receptor(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  5.59E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  4.18E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  3.12E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  2.63E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50: >4.98E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41585((E)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazo...)
Affinity DataIC50:  2.63E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay