BDBM50574371 CHEMBL4867121::US20230271956, Compound 55

SMILES CCn1cnc(NC(=O)c2cc3n(CC)c(nc3nc2OC)C(O)(c2cccs2)c2cccs2)n1

InChI Key InChIKey=NNEQZCDEUPWRRX-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 4 hits for monomerid = 50574371   

TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574371(CHEMBL4867121 | US20230271956, Compound 55)
Affinity DataIC50:  1nMAssay Description:Inhibition of human recombinant ACSS2 incubated for 180 mins by AMP Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574371(CHEMBL4867121 | US20230271956, Compound 55)
Affinity DataIC50:  5.5nMAssay Description:The biochemical activity assay for ACSS2 is based on the detection of released AMP by AMP-Glo Assay kit (Promega, Madison). The assay is run in three...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574371(CHEMBL4867121 | US20230271956, Compound 55)
Affinity DataIC50:  0.0100nMAssay Description:Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into histones by microbeta scintillation counting analy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574371(CHEMBL4867121 | US20230271956, Compound 55)
Affinity DataIC50:  0.0100nMAssay Description:Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into fatty acids by microbeta scintillation counting an...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed