BDBM62277 1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(2-nitrophenyl)thiourea::1-[[(E)-(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(2-nitrophenyl)thiourea::1-[[(E)-(5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-(2-nitrophenyl)thiourea::1-[[(E)-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(2-nitrophenyl)thiourea::MLS-0270696.0001::cid_6297486

SMILES CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O

InChI Key InChIKey=BPLZAIKSBDWMFA-UHFFFAOYSA-O

Data  7 IC50  1 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 8 hits for monomerid = 62277   

TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  8.23E+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
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  414nMAssay 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
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataEC50:  3.56E+3nMAssay 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 DepthDetails PCBioAssay
TargetTegument protein VP16(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  2.04E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  1.28E+4nMAssay 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
TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  1.03E+4nMAssay 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
TargetCOUP transcription factor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  5.05E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM62277(1-[[(E)-(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylid...)
Affinity DataIC50:  4.25E+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