BDBM54367 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester::2-[(4E)-1-(1,3-benzothiazol-2-yl)-5-keto-4-[1-(p-anisidino)ethylidene]-2-pyrazolin-3-yl]acetic acid methyl ester::MLS000778899::SMR000415593::cid_16460826::methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxopyrazol-3-yl]acetate::methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-methoxyphenyl)amino]ethylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate::{1-Benzothiazol-2-yl-4-[1-(4-methoxy-phenylamino)-eth-(E)-ylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}- acetic acid methyl ester

SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1

InChI Key InChIKey=CWQBNTNIMPDAEK-UHFFFAOYSA-N

Data  6 IC50  2 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 = 54367   

TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataIC50:  103nMAssay 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(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataEC50:  310nMAssay 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(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataIC50:  2.38E+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 receptor superfamily member 10B(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataEC50: >1.25E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataIC50:  4.13E+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
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataIC50: <39.1nMAssay 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
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataIC50:  1.13E+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(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54367(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Affinity DataIC50:  260nMAssay 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