BDBM80404 2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide::MLS000548032::N'-{2,4-dihydroxy-5-nitrobenzylidene}-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide::N'-[(E)-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide::N'-[(E)-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide::N'-[(E)-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide::SMR000113316::cid_5410765

SMILES CC1(CC(=O)N[NH+]=C[c-]2cc([N+]([O-])=O)c(=O)cc2O)OCCO1

InChI Key InChIKey=AOCGEALPHHIBCW-UHFFFAOYSA-O

Data  5 IC50

  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 5 hits for monomerid = 80404   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80404(2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-...)
Affinity DataIC50:  1.93E+4nMT: 2°CAssay 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
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80404(2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-...)
Affinity DataIC50:  4.10E+4nMT: 2°CAssay 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
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80404(2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-...)
Affinity DataIC50:  1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80404(2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-...)
Affinity DataIC50:  1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80404(2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-...)
Affinity DataIC50:  4.41E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay