BDBM50535222 CHEMBL4439992

SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

InChI Key InChIKey=BVRXQXNVDLUWMV-UHFFFAOYSA-N

Data  5 IC50  1 Kd

  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 = 50535222   

TargetAcyl-CoA 6-desaturase(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50535222(CHEMBL4439992)
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of D6D in Sprague-Dawley rat liver microsomes using [14C]LA as substrate preincubated for 5 mins measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetAcyl-CoA (8-3)-desaturase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50535222(CHEMBL4439992)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of D5D in human HepG2 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetAcyl-CoA (8-3)-desaturase(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50535222(CHEMBL4439992)
Affinity DataKd:  2.70nMAssay Description:Binding affinity to D5D in Sprague-Dawley rat liver microsomes after 150 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetAcyl-CoA desaturase 1(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50535222(CHEMBL4439992)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SCD in Sprague-Dawley rat liver microsomes using [14C]stearoyl-CoA as substrate preincubated for 5 mins measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetAcyl-CoA (8-3)-desaturase(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50535222(CHEMBL4439992)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of D5D in rat RLN10 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetAcyl-CoA (8-3)-desaturase(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50535222(CHEMBL4439992)
Affinity DataIC50: 19nMAssay Description:Inhibition of D5D in Sprague-Dawley rat liver microsomes using [14C]DGLA as substrate preincubated for 5 mins measured after 120 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed