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-UHFFFAOYSA-N

Data  11 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 41585   

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

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetEukaryotic translation initiation factor 2-alpha kinase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetEukaryotic translation initiation factor 2-alpha kinase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetVacuolar aminopeptidase 1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetApelin receptor(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetType-1 angiotensin II receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
Affinity DataIC50: 4.98E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
Affinity DataIC50: 852nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Immunyx Pharma

US Patent
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
Affinity DataIC50: 1.50E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2025
Entry Details
Go to US Patent

TargetProto-oncogene tyrosine-protein kinase ROS(Mouse)
Immunyx Pharma

US Patent
LigandPNGBDBM41585(cid_5759185 | (E)-4,4-dimethyl-1-(3-nitrophenyl)-2...)
Affinity DataIC50: 8.00E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2025
Entry Details
Go to US Patent