BDBM50400050 CHEMBL2177757::US10793535, Cmpd ID 1::US11191732, Example BPTES::US8604016, 1::US9938267, Cmpd ID 1

SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1

InChI Key InChIKey=MDJIPXYRSZHCFS-UHFFFAOYSA-N

Data  29 IC50  2 Kd

PDB links: 7 PDB IDs match this monomer.

  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 31 hits for monomerid = 50400050   

TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  200nMAssay Description:Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of GLS1 (unknown origin)More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  371nMAssay Description:Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrateMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assayMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  8.60E+3nMAssay Description:Inhibition of recombinant KGA (unknown origin) using glutamine as substrateMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  81nMAssay Description:Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  100nMAssay Description:Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  200nMAssay Description:No preinc (Column 4).More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  100nMAssay Description:Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 minsMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human GAC assessed as NADH formation using 10 mM glutamine as substrateMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  100nMAssay 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
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  190nMAssay Description:Inhibition of human KGA (1 to 669 residues) preincubated for 20 mins using 7 mM glutamine as substrateMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataKd:  200nMAssay Description:Binding affinity to recombinant human C-terminal His-tagged GLS1 after 3 hrs in presence of glycine by GDH coupled assayMore data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  100nMAssay Description:Inhibition of human recombinant GAC (72 to 598 residues) expressed in Escherichia coli BL21(DE3) after 10 mins by GluO-horseradish peroxidase coupled...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  130nMAssay Description:Inhibition of human KGA preincubated for 15 to 30 mins followed by substrate addition and measured after 3 to 4 hrs by GDH-EZMTT reagent-based GDH co...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  135nMAssay Description:Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra...More data for this Ligand-Target Pair
TargetGlutaminase liver isoform, mitochondrial(Homo sapiens)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of GLS2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.69E+3nMAssay Description:Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Rattus norvegicus)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of rat kidney type GLS1More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataKd:  4.30E+3nMAssay Description:Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assayMore data for this Ligand-Target Pair
TargetGlutamate dehydrogenase 2, mitochondrial(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  100nMAssay Description:Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlutamate dehydrogenase 2, mitochondrial(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  200nMAssay Description:Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  25nMAssay Description:Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  190nMAssay Description:Inhibition of human kidney glutaminase assessed as reduction in glutamate production in presence of NADPH-dependent glutamate dehydrogenase preincuba...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.30E+3nMAssay Description:Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer ba...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.30E+3nMAssay 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
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.30E+3nMAssay 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
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  4.57E+3nMAssay Description:Inhibition of human GLS1More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  3.69E+3nMAssay Description:Inhibition of recombinant human GLS1 expressed in Escherichia coli strain BL21 (DE3) preincubated for 10 mins before glutamine addition and measured ...More data for this Ligand-Target Pair
TargetGlutaminase kidney isoform, mitochondrial(Homo sapiens (Human))
Calithera Biosciences

US Patent
LigandPNGBDBM50400050(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Affinity DataIC50:  100nMAssay Description:Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...More data for this Ligand-Target Pair