BDBM50275432 CHEMBL487965::S-2-(6-(1,4-dihydrobenzo[d][1,2]dioxine-6-sulfonamido)pyridin-3-yl)-2-oxoethyl ethanethioate

SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1

InChI Key InChIKey=BRMDMXBOOXVKCO-UHFFFAOYSA-N

Data  6 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 = 50275432   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Kalypsys

Curated by ChEMBL
LigandPNGBDBM50275432(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Affinity DataEC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Kalypsys

Curated by ChEMBL
LigandPNGBDBM50275432(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Affinity DataEC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Kalypsys

Curated by ChEMBL
LigandPNGBDBM50275432(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Affinity DataEC50: >3.00E+4nMAssay Description:Inhibition of human ERG by patch-clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Kalypsys

Curated by ChEMBL
LigandPNGBDBM50275432(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Affinity DataEC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Kalypsys

Curated by ChEMBL
LigandPNGBDBM50275432(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Affinity DataEC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Kalypsys

Curated by ChEMBL
LigandPNGBDBM50275432(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)
Affinity DataEC50:  1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed