BDBM527543 US11186587, Example 26

SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1

InChI Key InChIKey=WMMDGQPJIIPVNV-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 527543   

TargetAcetyl-CoA carboxylase 2(Human)
Nanjing Sanhome Pharmaceutical

US Patent
LigandPNGBDBM527543(US11186587, Example 26)
Affinity DataIC50:  10.3nMAssay Description:4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetAcetyl-CoA carboxylase 1(Human)
Nanjing Sanhome Pharmaceutical

US Patent
LigandPNGBDBM527543(US11186587, Example 26)
Affinity DataIC50:  0.870nMAssay Description:4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent