BDBM50578401 CHEMBL4870590::US20240009175, Compound 57

SMILES CCn1c(nc2nc(OC)c(cc12)-c1nnn[nH]1)C(O)(c1ccccc1F)c1ccccc1F

InChI Key InChIKey=NCHZYOGPMBDRPR-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50578401   

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

Curated by ChEMBL
LigandPNGBDBM50578401(CHEMBL4870590 | US20240009175, Compound 57)
Affinity DataIC50:  0.0100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50578401(CHEMBL4870590 | US20240009175, Compound 57)
Affinity DataIC50: <1nMAssay 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
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50578401(CHEMBL4870590 | US20240009175, Compound 57)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50578401(CHEMBL4870590 | US20240009175, Compound 57)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed