BDBM50171339 1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea::CHEMBL190346::cid_11198061

SMILES CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1

InChI Key InChIKey=SVHVIRBGQRDCIB-UHFFFAOYSA-N

Data  1 KI  3 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 6 hits for monomerid = 50171339   

TargetBeta-secretase 1(Homo sapiens (Human))
University Of ZüRich

Curated by ChEMBL
LigandPNGBDBM50171339(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Affinity DataKi:  2.88E+4nMAssay Description:Predicted binding affinity for beta secretase by linear interaction energy continuum electrostaticsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50171339(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Affinity DataEC50:  4.27E+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
TargetBeta-secretase 1/2(Homo sapiens (Human))
University Of ZüRich

Curated by ChEMBL
LigandPNGBDBM50171339(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Affinity DataEC50:  11nMAssay Description:Beta-secretase inhibitory activity as inhibition of secreted alkaline phosphatase in HEK293 cells expressing SEAP-APP fusion proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
University Of ZüRich

Curated by ChEMBL
LigandPNGBDBM50171339(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Affinity DataIC50: >25nMAssay Description:Inhibitory concentration against beta-site APP cleaving enzyme (BACE-1) by fluorescence resonance energy transfer assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50171339(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Affinity DataIC50:  2.39E+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
LigandPNGBDBM50171339(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Affinity DataIC50:  1.27E+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