BDBM50178230 CHEMBL3814265::US11191732, Example 5

SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1

InChI Key InChIKey=LXYWKCMDZVEECE-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50178230   

TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50178230(CHEMBL3814265 | US11191732, Example 5)
Affinity DataIC50:  70nMAssay Description:Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50178230(CHEMBL3814265 | US11191732, Example 5)
Affinity DataIC50:  80nMAssay Description:A high throughput screening (HTS) assay and together with NCATS screened over 350,000 compounds in attempt to identify novel GLS inhibitor structures...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50178230(CHEMBL3814265 | US11191732, Example 5)
Affinity DataIC50:  70nMAssay Description:Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed