BDBM46557 2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile::2-(5-chloro-1-ethyl-3-nitro-6-oxo-4-pyridazinyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile::2-(5-chloro-1-ethyl-3-nitro-6-oxopyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile::2-(5-chloro-1-ethyl-6-keto-3-nitro-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile::MLS000565007::SMR000152176::cid_3500086

SMILES CCn1nc(c(C(C#N)c2nc3cc(ccc3s2)C(F)(F)F)c(Cl)c1=O)[N+]([O-])=O

InChI Key InChIKey=SCGVTAZSAALBIZ-UHFFFAOYSA-N

Data  5 IC50  1 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 6 hits for monomerid = 46557   

TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46557(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
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PCBioAssay
LigandPNGBDBM46557(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Affinity DataIC50: 3.87E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46557(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN 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
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46557(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Affinity DataIC50: 3.47E+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
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46557(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Affinity DataEC50:  6.94E+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(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46557(2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyr...)
Affinity DataIC50: 2.78E+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