BDBM50414944 CHEMBL121556::NSC-402538

SMILES S=C(SSC(=S)N1CCOCC1)N1CCOCC1

InChI Key InChIKey=KKVYOWPPMNSLCP-UHFFFAOYSA-N

Data  3 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50414944   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataKi:  176nMAssay Description:Inhibition of PDK2 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataKi:  462nMAssay Description:Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataKi:  2.85E+3nMAssay Description:Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  40nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  1.43E+3nMAssay Description:Inhibition of ALDH2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  4.03E+3nMAssay Description:Inhibition of SARS CoV-2 main proteaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD-3-phosphoglycerate dehydrogenase(Homo sapiens (Human))TBA
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  210nMAssay Description:Inhibition of human PHGDH by fluorescence based analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMonoglyceride lipase(Homo sapiens (Human))
Universite Catholique De Louvain

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  219nMAssay Description:Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty-acid amide hydrolase 1(Homo sapiens (Human))
Universite Catholique De Louvain

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  7.94E+4nMAssay Description:Inhibition of human recombinant FAAH-maltose binding proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50414944(CHEMBL121556 | NSC-402538)
Affinity DataIC50:  49nMAssay Description:Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed