BDBM50574374 CHEMBL4850648::US20230271956, Compound 87

SMILES CCn1cnc(NC(=O)c2cc3n(CC)c(nc3nc2OC)C(O)(c2ccc(OC(F)F)cc2)c2ccccc2F)n1

InChI Key InChIKey=FBWCQYAZODUEFO-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50574374   

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

Curated by ChEMBL
LigandPNGBDBM50574374(CHEMBL4850648 | US20230271956, Compound 87)
Affinity DataIC50:  0.0100nMAssay 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(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574374(CHEMBL4850648 | US20230271956, Compound 87)
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
TargetAcetyl-coenzyme A synthetase, cytoplasmic(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574374(CHEMBL4850648 | US20230271956, Compound 87)
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(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574374(CHEMBL4850648 | US20230271956, Compound 87)
Affinity DataIC50: <1nMAssay 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(Homo sapiens)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50574374(CHEMBL4850648 | US20230271956, Compound 87)
Affinity DataIC50:  1nMAssay 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