BDBM50578400 CHEMBL4862805::US20240009175, Compound 50

SMILES CCn1c(nc2nc(OC)c(cc12)-c1nnn[nH]1)C(O)(c1ccccc1)c1ccccn1

InChI Key InChIKey=ZVLVRPZRYVSTFH-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50578400   

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

Curated by ChEMBL
LigandPNGBDBM50578400(CHEMBL4862805 | US20240009175, Compound 50)
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
LigandPNGBDBM50578400(CHEMBL4862805 | US20240009175, Compound 50)
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
LigandPNGBDBM50578400(CHEMBL4862805 | US20240009175, Compound 50)
Affinity DataIC50: 0.0100nMAssay 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
LigandPNGBDBM50578400(CHEMBL4862805 | US20240009175, Compound 50)
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
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50578400(CHEMBL4862805 | US20240009175, Compound 50)
Affinity DataIC50: 55nMAssay 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
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50578400(CHEMBL4862805 | US20240009175, Compound 50)
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
Go to US Patent