BDBM50529222 CHEMBL4528475

SMILES CC(NC(N)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1

InChI Key InChIKey=LFGMRAFNOXGCKM-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50529222   

TargetAcetyl-CoA carboxylase 1(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50529222(CHEMBL4528475)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of mouse His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by subst...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetAcetyl-CoA carboxylase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50529222(CHEMBL4528475)
Affinity DataIC50:  6.40nMAssay Description:Inhibition of ACC1 in human HCT116 cells assessed as reduction in [14C]acetate uptake preincubated for 60 mins followed by [14C]acetate addition and ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetAcetyl-CoA carboxylase 2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50529222(CHEMBL4528475)
Affinity DataIC50:  140nMAssay Description:Inhibition of recombinant human His-tagged ACC2 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins follo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetAcetyl-CoA carboxylase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50529222(CHEMBL4528475)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of recombinant human His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins follo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetAcetyl-CoA carboxylase 2(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50529222(CHEMBL4528475)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of mouse His-tagged ACC2 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by subst...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed