lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccccc1C(CO)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(CO)c3ccccc3OC)s2)s1
InChIKey: ORLRLLGOCDWHGW-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 520 nM (pChEMBL 6.28000020980835)
Descriptors: MW 644.8, ALogP 3.35, HBA 13, HBD 4, PSA 168.68, QED 0.13
Compound (SMILES): COc1ccccc1CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(CO)c3ccccc3OC)s2)s1
InChIKey: JEUXHEYXMNMFOK-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 614.78, ALogP 3.82, HBA 12, HBD 3, PSA 148.45, QED 0.17
Compound (SMILES): Cc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(C)c4)s3)s2)c1
InChIKey: MQQIIIYNSSMQIT-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 552.75, ALogP 4.89, HBA 9, HBD 2, PSA 109.76, QED 0.24
Compound (SMILES): Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(C)c4)s3)s2)c1
InChIKey: QVHUROYHLDMSNZ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 520.68, ALogP 4.93, HBA 8, HBD 2, PSA 109.76, QED 0.27
Compound (SMILES): COc1ccccc1CC(=O)Nc1nnc(CCSCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1
InChIKey: ODUWSDHEJFGPST-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 570.72, ALogP 4.25, HBA 11, HBD 2, PSA 128.22, QED 0.23
Compound (SMILES): COc1cccc(CC(=O)Nc2nnc(CCSCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1
InChIKey: GUKFNZBJRLSKEK-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 570.72, ALogP 4.25, HBA 11, HBD 2, PSA 128.22, QED 0.23
Compound (SMILES): COCOCCOC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(OCCOCOC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: BTWQLWQWVVXDRN-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 700.84, ALogP 4.59, HBA 14, HBD 2, PSA 165.14, QED 0.08
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(OCCO)c3ccccc3)s2)s1)C(OCCO)c1ccccc1
InChIKey: ZXPKAJJQNXWMLP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 612.73, ALogP 3.33, HBA 12, HBD 4, PSA 168.68, QED 0.13
Compound (SMILES): O=C(CO)Nc1nnc(CCSCCc2nnc(NC(=O)CO)s2)s1
InChIKey: WBVQLYBOJJCMQA-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 21000 nM (pChEMBL 4.679999828338623)
Descriptors: MW 404.5, ALogP -0.23, HBA 11, HBD 4, PSA 150.22, QED 0.39
Compound (SMILES): CC(=O)OCC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)CO)s2)s1
InChIKey: WYTRZKWKYRBLEZ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 446.54, ALogP 0.34, HBA 12, HBD 3, PSA 156.29, QED 0.32
Compound (SMILES): O=C(Cc1ccccc1Cl)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3Cl)s2)s1
InChIKey: JMMRUZNPQQQTAB-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 593.59, ALogP 5.58, HBA 9, HBD 2, PSA 109.76, QED 0.21
Compound (SMILES): O=C(Cc1ccccc1Cl)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3Cl)s2)s1
InChIKey: IRDDIILMTGNVLD-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 561.52, ALogP 5.62, HBA 8, HBD 2, PSA 109.76, QED 0.23
Compound (SMILES): COc1cccc(C(CO)C(=O)Nc2nnc(CCCCc3nnc(NC(=O)C(CO)c4cccc(OC)c4)s3)s2)c1
InChIKey: FVHGXSLDESAQHA-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 612.73, ALogP 3.4, HBA 12, HBD 4, PSA 168.68, QED 0.15
Compound (SMILES): COc1cccc(C(CO)C(=O)Nc2nnc(CCSCc3nnc(NC(=O)C(CO)c4cccc(OC)c4)s3)s2)c1
InChIKey: ZBXKIKIGRPHFBH-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 630.77, ALogP 3.31, HBA 13, HBD 4, PSA 168.68, QED 0.14
Compound (SMILES): COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(OC)c4OC)s3)s2)c1OC
InChIKey: ZIQLSKJEVVUCFI-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 644.8, ALogP 4.3, HBA 13, HBD 2, PSA 146.68, QED 0.17
Compound (SMILES): COc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OC)c4OC)s3)s2)c1OC
InChIKey: GGVXLDVDQZTEKP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 612.73, ALogP 4.35, HBA 12, HBD 2, PSA 146.68, QED 0.19
Compound (SMILES): CC(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(C)c3ccccc3Cl)s2)s1)c1ccccc1Cl
InChIKey: WOTNILJCEDLSBZ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 621.64, ALogP 6.7, HBA 9, HBD 2, PSA 109.76, QED 0.17
Compound (SMILES): Cc1ccccc1C(C)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(C)c3ccccc3C)s2)s1
InChIKey: MFKLAXAUTOUIOV-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 580.81, ALogP 6.01, HBA 9, HBD 2, PSA 109.76, QED 0.2
Compound (SMILES): COc1ccccc1C(C)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(C)c3ccccc3OC)s2)s1
InChIKey: MFMOZISAHQHVQB-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 612.8, ALogP 5.41, HBA 11, HBD 2, PSA 128.22, QED 0.18
Compound (SMILES): COc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1
InChIKey: XLPNVIIGDHVMHU-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 552.68, ALogP 4.33, HBA 10, HBD 2, PSA 128.22, QED 0.23
Compound (SMILES): COc1ccc(OC)c(CC(=O)Nc2nnc(CCCc3nnc(NC(=O)Cc4cc(OC)ccc4OC)s3)s2)c1
InChIKey: WSCCFEAQDJGPMX-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 598.71, ALogP 3.96, HBA 12, HBD 2, PSA 146.68, QED 0.22
Compound (SMILES): CC(=O)NCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CNC(C)=O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: PQKUCZRIZNQNNA-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 634.79, ALogP 3.67, HBA 10, HBD 4, PSA 167.96, QED 0.14
Compound (SMILES): O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1
InChIKey: SXVCXAZWDGLAFH-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 610 nM (pChEMBL 6.210000038146973)
Descriptors: MW 768.99, ALogP 3.65, HBA 15, HBD 2, PSA 153.16, QED 0.13
Compound (SMILES): O=C(Cc1ccc2ncccc2c1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccc4ncccc4c3)s2)s1
InChIKey: XKIBVXSOMTVEST-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 626.79, ALogP 5.37, HBA 11, HBD 2, PSA 135.54, QED 0.17
Compound (SMILES): O=C(Cc1ccc2ncccc2c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc4ncccc4c3)s2)s1
InChIKey: ODFWQCYTRVBKKP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 594.73, ALogP 5.41, HBA 10, HBD 2, PSA 135.54, QED 0.19
Compound (SMILES): O=C(Cc1cccc(Br)c1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccc(Br)c3)s2)s1
InChIKey: ZQQAAJJTVHXUOC-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 682.49, ALogP 5.8, HBA 9, HBD 2, PSA 109.76, QED 0.18
Compound (SMILES): COc1ccc(OC)c(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1
InChIKey: LXFWXDPMFJMIID-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 552.68, ALogP 4.33, HBA 10, HBD 2, PSA 128.22, QED 0.23
Compound (SMILES): CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c3ccccc3)s2)s1)c1ccccc1
InChIKey: CIFWIWBKBFAISZ-AVHCHLINSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 951.18, ALogP 7.58, HBA 16, HBD 4, PSA 239.02, QED 0.04
Compound (SMILES): O=C(Cc1cccc(F)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(F)c3)s2)s1
InChIKey: DDEFZXOTJNLSOH-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 528.61, ALogP 4.6, HBA 8, HBD 2, PSA 109.76, QED 0.28
Compound (SMILES): CC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(C)c3ccccc3Cl)s2)s1)c1ccccc1Cl
InChIKey: KFDVDTXCMFJTRA-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 589.57, ALogP 6.75, HBA 8, HBD 2, PSA 109.76, QED 0.19
Compound (SMILES): CC(C)(C)OC(=O)N1CCN(Cc2cccc(CC(=O)Nc3nnc(CCSCc4nnc(NC(=O)Cc5cccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)s4)s3)c2)CC1
InChIKey: XITJCABMHYEUGM-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 907.2, ALogP 6.33, HBA 15, HBD 2, PSA 175.32, QED 0.13
Compound (SMILES): O=C(Cc1cccc(CN2CCNCC2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(CN4CCNCC4)c3)s2)s1
InChIKey: AWSRXSATQGAXPD-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 688.93, ALogP 3.13, HBA 12, HBD 4, PSA 140.3, QED 0.14
Compound (SMILES): CC1(C)OCC(C(=O)Nc2nnc(CCCCc3nnc(NC(=O)C4(c5ccccc5)COC(C)(C)O4)s3)s2)(c2ccccc2)O1
InChIKey: VBEDTJYRFICPKT-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 664.81, ALogP 5.19, HBA 12, HBD 2, PSA 146.68, QED 0.21
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(O)(CO)c3ccccc3)s2)s1)C(O)(CO)c1ccccc1
InChIKey: VQRZMEKUKZYRAE-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 584.68, ALogP 1.59, HBA 12, HBD 6, PSA 190.68, QED 0.13
Compound (SMILES): CC1(C)OCC(C(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)(c2ccccc2)O1
InChIKey: BQBXBVAJIMXKPP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 578.72, ALogP 4.75, HBA 10, HBD 2, PSA 128.22, QED 0.24
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)C(O)(CO)c3ccccc3)s2)s1
InChIKey: GRFWYLVZOPHMDN-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 538.66, ALogP 2.95, HBA 10, HBD 4, PSA 150.22, QED 0.2
Compound (SMILES): C=C(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC(=O)CCN3CCOCC3)c3ccccc3)s2)s1)c1ccccc1
InChIKey: FSSDALNTWOIGQN-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 740 nM (pChEMBL 6.130000114440918)
Descriptors: MW 675.84, ALogP 4.59, HBA 12, HBD 2, PSA 148.53, QED 0.1
Compound (SMILES): O=C(Cc1ccccc1Br)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3Br)s2)s1
InChIKey: KKLQPOGPWZIQSH-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 650.42, ALogP 5.84, HBA 8, HBD 2, PSA 109.76, QED 0.2
Compound (SMILES): O=C(Cc1ccccc1Br)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3Br)s2)s1
InChIKey: UPMBHHJSLIRPAJ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 660 nM (pChEMBL 6.179999828338623)
Descriptors: MW 682.49, ALogP 5.8, HBA 9, HBD 2, PSA 109.76, QED 0.18
Compound (SMILES): O=C(Cc1cccc(Br)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(Br)c3)s2)s1
InChIKey: UBQBALLJZNYCKW-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 650.42, ALogP 5.84, HBA 8, HBD 2, PSA 109.76, QED 0.2
Compound (SMILES): O=C(Cc1cccc(-n2cccn2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(-n4cccn4)c3)s2)s1
InChIKey: JLKFDZCWYCXQAF-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 624.76, ALogP 4.69, HBA 12, HBD 2, PSA 145.4, QED 0.18
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(O)c3ccccc3Br)s2)s1)C(O)c1ccccc1Br
InChIKey: SVFHEABKZHKNPV-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 682.42, ALogP 4.82, HBA 10, HBD 4, PSA 150.22, QED 0.16
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(O)c3cccc(Br)c3)s2)s1)C(O)c1cccc(Br)c1
InChIKey: GSIGFDHMTJMUJE-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 682.42, ALogP 4.82, HBA 10, HBD 4, PSA 150.22, QED 0.16
Compound (SMILES): CC(CCC(C)c1nnc(NC(=O)Cc2ccccc2)s1)c1nnc(NC(=O)Cc2ccccc2)s1
InChIKey: VGCFFPXTMKAFED-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 32000 nM (pChEMBL 4.5)
Descriptors: MW 520.68, ALogP 5.44, HBA 8, HBD 2, PSA 109.76, QED 0.27
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)c3ccccc3)s2)s1
InChIKey: VEJLGSPQFSODBF-GOTSBHOMSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 588.76, ALogP 5.76, HBA 9, HBD 2, PSA 126.83, QED 0.16
Compound (SMILES): CC(C)[C@H](N)C(=O)OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC(=O)[C@@H](N)C(C)C)c3ccccc3)s2)s1)c1ccccc1
InChIKey: JYUNJVCQDWQLLI-FWYJNYDBSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 750.95, ALogP 4.45, HBA 14, HBD 4, PSA 214.4, QED 0.08
Compound (SMILES): O=C(Cc1ccccc1F)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3F)s2)s1
InChIKey: CQYHPMYVWDQQRA-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 528.61, ALogP 4.6, HBA 8, HBD 2, PSA 109.76, QED 0.28
Compound (SMILES): O=C(Cc1c(F)cccc1F)Nc1nnc(CCCCc2nnc(NC(=O)Cc3c(F)cccc3F)s2)s1
InChIKey: ODADBDKZCTWYAL-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 564.59, ALogP 4.87, HBA 8, HBD 2, PSA 109.76, QED 0.2
Compound (SMILES): O=C(Cc1ccccc1F)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3F)s2)s1
InChIKey: AEIAPIWTIVEORT-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 560.68, ALogP 4.55, HBA 9, HBD 2, PSA 109.76, QED 0.24
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIKey: ZIPXNTFGVYDBAA-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 486.6, ALogP 4.26, HBA 7, HBD 2, PSA 109.76, QED 0.31
Compound (SMILES): Cc1nccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(Cn5ccnc5C)c4)s3)s2)c1
InChIKey: IENXRZKVERFFHZ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 680.86, ALogP 5.42, HBA 12, HBD 2, PSA 145.4, QED 0.14
Compound (SMILES): CN(C)CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIKey: HQTONHHUZQNQTR-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 6400 nM (pChEMBL 5.190000057220459)
Descriptors: MW 459.6, ALogP 2.64, HBA 9, HBD 2, PSA 113, QED 0.42
Compound (SMILES): O=C(Cc1c(F)cccc1F)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3c(F)cccc3F)s2)s1
InChIKey: XBSJXKZKVVLUMG-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 596.66, ALogP 4.83, HBA 9, HBD 2, PSA 109.76, QED 0.18
Compound (SMILES): CCOc1ccccc1CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3OCC)s2)s1
InChIKey: KPASBLIZYGIRQF-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 612.8, ALogP 5.07, HBA 11, HBD 2, PSA 128.22, QED 0.17
Compound (SMILES): CCOc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OCC)s2)s1
InChIKey: RAIGQSBKSBUUHD-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 580.74, ALogP 5.11, HBA 10, HBD 2, PSA 128.22, QED 0.19
Compound (SMILES): O=C(OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)c3ccccc3)s2)s1)c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: AWAKWNWHHTXGSK-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 1043.24
Compound (SMILES): O=C(OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC(=O)C3CCNCC3)c3ccccc3)s2)s1)c1ccccc1)C1CCNCC1
InChIKey: VRFRYKZXKZMFMP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 774.97, ALogP 4.49, HBA 14, HBD 4, PSA 186.42, QED 0.09
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(F)(F)c3ccccc3)s2)s1)C(F)(F)c1ccccc1
InChIKey: HNRSQRLHMACQAP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 564.59, ALogP 5.42, HBA 8, HBD 2, PSA 109.76, QED 0.19
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3CCCC[C@H]3C(O)c3ccccc3)s2)s1
InChIKey: WUXBSMZHUBBRKF-WVJBAYLNSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 590.78, ALogP 5.61, HBA 9, HBD 3, PSA 129.99, QED 0.18
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1
InChIKey: JFTRIYLDWXSBOI-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 480.57, ALogP 4.19, HBA 6, HBD 2, PSA 109.76, QED 0.31
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(O)c3cccc(Cl)c3)s2)s1)C(O)c1cccc(Cl)c1
InChIKey: VPCQNFDPOCMPNR-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 593.52, ALogP 4.61, HBA 10, HBD 4, PSA 150.22, QED 0.18
Compound (SMILES): O=C(Cc1ccccn1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)s1
InChIKey: KWCMMXRINZGQDR-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 6400 nM (pChEMBL 5.190000057220459)
Descriptors: MW 494.61, ALogP 3.11, HBA 10, HBD 2, PSA 135.54, QED 0.3
Compound (SMILES): O=C(Cc1ccccn1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccn3)s2)s1
InChIKey: FVBRHPDKVDHJTJ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 526.67, ALogP 3.06, HBA 11, HBD 2, PSA 135.54, QED 0.27
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)s1
InChIKey: ZTUCFLCGAGLBCJ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 493.62, ALogP 3.71, HBA 9, HBD 2, PSA 122.65, QED 0.31
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)s1
InChIKey: KXELOZBBTFJOQP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 493.62, ALogP 3.71, HBA 9, HBD 2, PSA 122.65, QED 0.31
Compound (SMILES): O=C(Cc1cccnc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)s1
InChIKey: RZUOKSATIFLDMV-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 494.61, ALogP 3.11, HBA 10, HBD 2, PSA 135.54, QED 0.3
Compound (SMILES): O=C(Cc1cccc(-c2cccnc2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(-c4cccnc4)c3)s2)s1
InChIKey: TXHRRDWNFNXVRJ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 646.8, ALogP 6.44, HBA 10, HBD 2, PSA 135.54, QED 0.14
Compound (SMILES): O=C(O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(CC(=O)O)c4)s3)s2)c1
InChIKey: GRNGMEYXYBXVLI-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 608.7, ALogP 3.57, HBA 10, HBD 4, PSA 184.36, QED 0.15
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)C(CO)c3ccccc3)s2)nn1
InChIKey: HQZPSEQEPZPSJV-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 516.63, ALogP 3.79, HBA 8, HBD 3, PSA 129.99, QED 0.24
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)C(O)c3ccccc3)s2)nn1
InChIKey: HFZZPNIXRJVESQ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 502.6, ALogP 3.75, HBA 8, HBD 3, PSA 129.99, QED 0.27
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3ccccc3)s2)s1
InChIKey: CMQILJUKOZAOQS-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 522.66, ALogP 3.85, HBA 9, HBD 3, PSA 129.99, QED 0.24
Compound (SMILES): COc1cccc(C(O)C(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
InChIKey: TUIXIDLIEHRRCH-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 532.63, ALogP 3.76, HBA 9, HBD 3, PSA 139.22, QED 0.23