BDBM527544 US11186587, Example 27

SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cc(ccc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1

InChI Key InChIKey=PKYCVGNKGCYOGV-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 527544   

TargetAcetyl-CoA carboxylase 1(Homo sapiens (Human))
Nanjing Sanhome Pharmaceutical

US Patent
LigandPNGBDBM527544(US11186587, Example 27)
Affinity DataIC50:  11.8nMAssay 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