BDBM50578399 CHEMBL4870878::US20240009175, Compound 37

SMILES CCn1c(nc2nc(OC)c(cc12)-c1nnn[nH]1)C(O)(c1ccccc1)c1ncccn1

InChI Key InChIKey=KWJUGHRFXRQCLM-UHFFFAOYSA-N

Data  4 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 = 50578399   

TargetAcetyl-coenzyme A synthetase, cytoplasmic(Homo sapiens)
Merck Patent

US Patent
LigandPNGBDBM50578399(CHEMBL4870878 | US20240009175, Compound 37)
Affinity DataIC50:  5.5nMAssay Description:The assay was performed in Perkin Elmer 384 well white Proxiplates in a total volume of 8 μl. 1 nM (fc)C-term myc tagged ACSS2 (human, recombina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent