BDBM50578398 CHEMBL4859117::US20240009175, Compound 35

SMILES CCn1c(C(O)(c2ccccc2)c2cccs2)nc2nc(OC)c(-c3nnn[nH]3)cc21

InChI Key InChIKey=VLKWZCMEFQGQGL-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50578398   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50578398BDBM50578398(CHEMBL4859117 | US20240009175, Compound 35)
Affinity DataIC50: 0.0100nMAssay Description:Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into fatty acids measured after 24 hrs by scintillation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50578398BDBM50578398(CHEMBL4859117 | US20240009175, Compound 35)
Affinity DataIC50: 1nMAssay Description:Inhibition of human recombinant ACSS2 assessed as AMP release using Coenzyme A/ATP as co-substrates by AMP Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50578398BDBM50578398(CHEMBL4859117 | US20240009175, Compound 35)
Affinity DataIC50: 1nMAssay Description:Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into histones measured after 24 hrs by scintillation co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50578398BDBM50578398(CHEMBL4859117 | US20240009175, Compound 35)
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
In Depth
Date in BDB:
3/4/2024
Entry Details
US Patent