BDBM64222 2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester::5-[[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester::MLS001193348::SMR000592357::cid_24762108::ethyl 2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]-1H-pyrrole-3-carboxylate::ethyl 2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]-1H-pyrrole-3-carboxylate

SMILES CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C

InChI Key InChIKey=ZPKDZBOCNXDVCF-QGMBQPNBSA-O

Data  3 IC50  5 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 = 64222   

TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataEC50:  860nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataEC50:  1.21E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataEC50:  1.14E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetT cell receptor alpha variable 4(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataIC50: >9.41E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataEC50:  2.23E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetAlkaline phosphatase, germ cell type(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataEC50:  2.32E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetAlbumin(Bos taurus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataIC50: >9.41E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetIntestinal-type alkaline phosphatase 1(Rattus norvegicus (Rat))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64222(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Affinity DataIC50: >1.00E+5nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay