lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: INGPICOVEDTPQQ-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 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 580.74, ALogP 4.69, HBA 10, HBD 2, PSA 128.22, QED 0.19
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C3(c4ccccc4)CCOCC3)s2)s1)C1(c2ccccc2)CCOCC1
InChIKey: LWPYBFXUSXBXNJ-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 = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 632.81, ALogP 5.33, HBA 10, HBD 2, PSA 128.22, QED 0.21
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C3(c4cccs4)CCOCC3)s2)s1)C1(c2cccs2)CCOCC1
InChIKey: DSKDPIQUJAOXHE-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 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 644.87, ALogP 5.45, HBA 12, HBD 2, PSA 128.22, QED 0.21
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C3(c4ccccc4)CC3)s2)s1)C1(c2ccccc2)CC1
InChIKey: NRFRAQUJKLTKJR-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 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 544.71, ALogP 5.3, HBA 8, HBD 2, PSA 109.76, QED 0.25
Compound (SMILES): O=C(Nc1nnc(CCCc2nnc(NC(=O)C(O)Cc3ccccc3)s2)s1)C(O)Cc1ccccc1
InChIKey: KKEBTJVRIMEBEF-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 = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 538.66, ALogP 2.65, HBA 10, HBD 4, PSA 150.22, QED 0.21
Compound (SMILES): CC(=O)OC(C(=O)Nc1nnc(CCCc2nnc(NC(=O)C(OC(C)=O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: TYFRMMOPSDHYPO-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 594.68, ALogP 4.05, HBA 12, HBD 2, PSA 162.36, QED 0.23
Compound (SMILES): O=C(Nc1nnc(CCCc2nnc(NC(=O)C(O)c3ccccc3)s2)s1)C(O)c1ccccc1
InChIKey: KOSLWWCPUXUTQB-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 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 510.6, ALogP 2.91, HBA 10, HBD 4, PSA 150.22, QED 0.25
Compound (SMILES): CC(=O)OC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(OC(C)=O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: JGWQLMCXCPKLMK-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 = 24000 nM (pChEMBL 4.619999885559082)
Descriptors: MW 608.7, ALogP 4.44, HBA 12, HBD 2, PSA 162.36, QED 0.16
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(O)c3ccccc3)s2)s1)C(O)c1ccccc1
InChIKey: NQTDSXJWWJFUJP-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 524.63, ALogP 3.3, HBA 10, HBD 4, PSA 150.22, QED 0.22
Compound (SMILES): N[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](N)c3ccccc3)s2)s1)c1ccccc1
InChIKey: VJXBEJWMWIMCGK-PMACEKPBSA-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 = 6300 nM (pChEMBL 5.199999809265137)
Descriptors: MW 554.73, ALogP 3.19, HBA 11, HBD 4, PSA 161.8, QED 0.19
Compound (SMILES): O=C(Nc1nnc(CCCc2nnc(NC(=O)C(CO)c3ccccc3)s2)s1)C(CO)c1ccccc1
InChIKey: NREZWDUWECZUOI-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 538.66, ALogP 2.99, HBA 10, HBD 4, PSA 150.22, QED 0.21
Compound (SMILES): O=C(CC(C(=O)O)c1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)CC(C(=O)O)c3ccccc3)s2)s1
InChIKey: HINUPOHXOMDJJX-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 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 608.7, ALogP 4.35, HBA 10, HBD 4, PSA 184.36, QED 0.14
Compound (SMILES): COC(=O)C(CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)CC(C(=O)O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: UXHGINYUPXHKDC-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 622.73, ALogP 4.44, HBA 11, HBD 3, PSA 173.36, QED 0.13
Compound (SMILES): O=C(CCC(C(=O)O)c1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)CCC(C(=O)O)c3ccccc3)s2)s1
InChIKey: FEQPJFSGBWVQND-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 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 668.82, ALogP 5.08, HBA 11, HBD 4, PSA 184.36, QED 0.1
Compound (SMILES): O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3ccccc3CO)s2)s1)c1ccccc1CO
InChIKey: SRMKZRLDTVVSOD-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 = 8800 nM (pChEMBL 5.059999942779541)
Descriptors: MW 556.7, ALogP 3.4, HBA 11, HBD 4, PSA 150.22, QED 0.19
Compound (SMILES): O=C(Cc1ccccc1CO)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3CO)s2)s1
InChIKey: OFAQTNHIUZIPKK-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 584.75, ALogP 3.26, HBA 11, HBD 4, PSA 150.22, QED 0.16
Compound (SMILES): CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)s3)s2)cc1
InChIKey: ILIYWQKCKHJZHN-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 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 680.88, ALogP 3.08, HBA 13, HBD 2, PSA 178.04, QED 0.19
Compound (SMILES): O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccc(C(F)(F)F)cc3)s2)s1
InChIKey: CKDLWEFGVASGKT-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 660.69, ALogP 6.31, HBA 9, HBD 2, PSA 109.76, QED 0.14
Compound (SMILES): CC(C)(C)c1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(C(C)(C)C)cc4)s3)s2)cc1
InChIKey: BHCPURGHILTAHL-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 636.91, ALogP 6.87, HBA 9, HBD 2, PSA 109.76, QED 0.16
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(NC(=O)OC(C)(C)C)cc4)s3)s2)cc1
InChIKey: UYXSXSXSUTVBDQ-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 754.96, ALogP 6.96, HBA 13, HBD 4, PSA 186.42, QED 0.1
Compound (SMILES): O=C(CCN1CCOCC1)OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(COC(=O)CCN3CCOCC3)c3ccccc3)s2)s1)c1ccccc1
InChIKey: ZKQOJEAHEDTBEX-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 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 835.02, ALogP 3.93, HBA 16, HBD 2, PSA 187.3, QED 0.09
Compound (SMILES): O=C(Nc1nnc(CCSCCc2nnc(NC(=O)C3Cc4cc(Cl)ccc4O3)s2)s1)C1Cc2cc(Cl)ccc2O1
InChIKey: RXLYBCGVNOHAPL-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 = 4400 nM (pChEMBL 5.360000133514404)
Descriptors: MW 649.61, ALogP 5.1, HBA 11, HBD 2, PSA 128.22, QED 0.23
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3cccs3)s2)s1)C(CO)c1cccs1
InChIKey: FQLQAQOMTPBKSN-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 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 564.74, ALogP 3.51, HBA 12, HBD 4, PSA 150.22, QED 0.18
Compound (SMILES): CC(C)(C)c1ccc(CC(=O)Cc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(C(C)(C)C)cc4)s3)s2)cc1
InChIKey: GGTJIBZYBIIYTE-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 603.86, ALogP 7.09, HBA 8, HBD 1, PSA 97.73, QED 0.17
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccc(CC(=O)Cc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(NC(=O)OC(C)(C)C)cc4)s3)s2)cc1
InChIKey: JJDLNONTEHIFPA-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 721.91, ALogP 7.18, HBA 12, HBD 3, PSA 174.39, QED 0.11
Compound (SMILES): O=C(Cc1cc2ccccc2o1)Cc1nnc(CCSCCc2nnc(NC(=O)Cc3cc4ccccc4o3)s2)s1
InChIKey: WUAAXXZTQBCGDX-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 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 603.75, ALogP 5.94, HBA 11, HBD 1, PSA 124.01, QED 0.16
Compound (SMILES): O=C(Cc1cc2ccccc2o1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cc4ccccc4o3)s2)s1
InChIKey: NNZVZSAWBILMEB-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 572.67, ALogP 5.81, HBA 10, HBD 2, PSA 136.04, QED 0.19
Compound (SMILES): Nc1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(N)cc4)s3)s2)cc1
InChIKey: XCGBILILIFERNJ-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 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 554.73, ALogP 3.43, HBA 11, HBD 4, PSA 161.8, QED 0.15
Compound (SMILES): Nc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(N)cc4)s3)s2)cc1
InChIKey: DZMAHKIIHKVUHJ-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 3.48, HBA 10, HBD 4, PSA 161.8, QED 0.17
Compound (SMILES): O=C(CN1C(=O)OC[C@@H]1c1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)CN3C(=O)OC[C@@H]3c3ccccc3)s2)s1
InChIKey: PUXYCTYQCRUGON-FGZHOGPDSA-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 = 6900 nM (pChEMBL 5.159999847412109)
Descriptors: MW 694.82, ALogP 4.17, HBA 13, HBD 2, PSA 168.84, QED 0.18
Compound (SMILES): NS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(S(N)(=O)=O)cc4)s3)s2)cc1
InChIKey: UQWYPYJPKWKQOS-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 = 180 nM (pChEMBL 6.75)
Descriptors: MW 650.79, ALogP 1.61, HBA 12, HBD 4, PSA 230.08, QED 0.15
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIKey: SBMOOYCHHGGHRB-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 510.67, ALogP 4.23, HBA 9, HBD 2, PSA 109.76, QED 0.29
Compound (SMILES): Cn1cc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cn(C)c5ccccc45)s3)s2)c2ccccc21
InChIKey: MWIYUJLNGYATKZ-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 630.83, ALogP 5.25, HBA 11, HBD 2, PSA 119.62, QED 0.18
Compound (SMILES): Cn1cc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cn(C)c5ccccc45)s3)s2)c2ccccc21
InChIKey: QHPWCCOTNJBDLD-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 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 598.76, ALogP 5.3, HBA 10, HBD 2, PSA 119.62, QED 0.2
Compound (SMILES): COc1cc(CC(=O)NC(=N)SC(=N)CCSCCc2nnc(NC(=O)Cc3cc(OC)cc(OC)c3)s2)cc(OC)c1
InChIKey: IXYDZWZSFJUSIJ-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 = 180 nM (pChEMBL 6.75)
Descriptors: MW 646.82, ALogP 4.42, HBA 13, HBD 4, PSA 168.6, QED 0.11
Compound (SMILES): COCCOC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(OCCOC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: XMRYLYBXADNVOF-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 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 640.79, ALogP 4.64, HBA 12, HBD 2, PSA 146.68, QED 0.14
Compound (SMILES): COCC(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(COC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: HEWJEDOXMDLBMZ-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 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 612.8, ALogP 4.65, HBA 11, HBD 2, PSA 128.22, QED 0.17
Compound (SMILES): COc1cc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cc(OC)cc(OC)c4)s3)s2)cc(OC)c1
InChIKey: ZSGOIUMCPUVPHM-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 612.73, ALogP 4.35, HBA 12, HBD 2, PSA 146.68, QED 0.19
Compound (SMILES): O=C(Cc1ccc(Cl)s1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccc(Cl)s3)s2)s1
InChIKey: KODQFYKUMWLGPX-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 605.65, ALogP 5.7, HBA 11, HBD 2, PSA 109.76, QED 0.2
Compound (SMILES): O=C(Cc1cc2ccccc2s1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cc4ccccc4s3)s2)s1
InChIKey: OVWPUEQSUGKCNS-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 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 636.88, ALogP 6.7, HBA 11, HBD 2, PSA 109.76, QED 0.14
Compound (SMILES): O=C(Cc1ccccc1CO)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3CO)s2)s1
InChIKey: UYKUUUNPZIYFEI-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 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 552.68, ALogP 3.3, HBA 10, HBD 4, PSA 150.22, QED 0.18
Compound (SMILES): C=CCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CC=C)c3ccccc3)s2)s1)c1ccccc1
InChIKey: KUOHXMVNUZZSJA-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 572.76, ALogP 6.55, HBA 8, HBD 2, PSA 109.76, QED 0.12
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3ccccc3Cl)s2)s1)[C@@H](O)c1ccccc1Cl
InChIKey: CZPICFFFDOAIMU-PMACEKPBSA-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 593.52, ALogP 4.61, HBA 10, HBD 4, PSA 150.22, QED 0.18
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)C(O)c3cccc(F)c3F)s2)s1)C(O)c1cccc(F)c1F
InChIKey: JBWUDMXUCXUHTH-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 596.59, ALogP 3.86, HBA 10, HBD 4, PSA 150.22, QED 0.15
Compound (SMILES): O=C(Cc1csc2ccccc12)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3csc4ccccc34)s2)s1
InChIKey: JSWWSHINZKLUJP-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 636.88, ALogP 6.7, HBA 11, HBD 2, PSA 109.76, QED 0.14
Compound (SMILES): O=C(Cn1ccc2ccccc21)Nc1nnc(CCSCCc2nnc(NC(=O)Cn3ccc4ccccc43)s2)s1
InChIKey: MJAJWZWFTQWGID-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 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 602.77, ALogP 5.09, HBA 11, HBD 2, PSA 119.62, QED 0.19
Compound (SMILES): NCCC(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(CN)c3ccccc3)s2)s1)c1ccccc1
InChIKey: KACVBHYTCJQDGU-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 = 820 nM (pChEMBL 6.090000152587891)
Descriptors: MW 596.81, ALogP 3.66, HBA 11, HBD 4, PSA 161.8, QED 0.15
Compound (SMILES): O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3cc4ccccc4o3)s2)s1)c1cc2ccccc2o1
InChIKey: MLMNKLIKAOERTN-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 = 16000 nM (pChEMBL 4.800000190734863)
Descriptors: MW 576.69, ALogP 5.91, HBA 11, HBD 2, PSA 136.04, QED 0.19
Compound (SMILES): N#Cc1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(C#N)cc4)s3)s2)cc1
InChIKey: VBURGDPGNOIUCD-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 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 574.72, ALogP 4.01, HBA 11, HBD 2, PSA 157.34, QED 0.24
Compound (SMILES): NS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(S(N)(=O)=O)cc4)s3)s2)cc1
InChIKey: BBCVQHDMUVLUCF-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 682.86, ALogP 1.57, HBA 13, HBD 4, PSA 230.08, QED 0.14
Compound (SMILES): O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3coc4ccccc34)s2)s1)c1coc2ccccc12
InChIKey: RRPLVNJUWFHBOH-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 576.69, ALogP 5.91, HBA 11, HBD 2, PSA 136.04, QED 0.19
Compound (SMILES): COc1ccccc1CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1
InChIKey: IBWFMXRWOZNAJU-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 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 584.75, ALogP 4.29, HBA 11, HBD 2, PSA 128.22, QED 0.21
Compound (SMILES): COC(=O)C(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(C(=O)OC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: RSMLKEYTUPVVHX-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 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 608.7, ALogP 3.75, HBA 12, HBD 2, PSA 162.36, QED 0.13
Compound (SMILES): O=C(Cc1coc2ccccc12)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3coc4ccccc34)s2)s1
InChIKey: QHYAKQPAIGYGLE-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 604.74, ALogP 5.76, HBA 11, HBD 2, PSA 136.04, QED 0.17
Compound (SMILES): O=C(Cc1coc2ccccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3coc4ccccc34)s2)s1
InChIKey: PEDDPQJDGNPQCH-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 572.67, ALogP 5.81, HBA 10, HBD 2, PSA 136.04, QED 0.19
Compound (SMILES): Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3ccccc3)s2)s1
InChIKey: LMOLWNXMAOOAJL-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 = 9900 nM (pChEMBL 5)
Descriptors: MW 404.52, ALogP 2.25, HBA 9, HBD 3, PSA 126.91, QED 0.47
Compound (SMILES): O=C(CCN1CCOCC1)OCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CO)c3ccccc3)s2)s1)c1ccccc1
InChIKey: IYARYUXVHHNPBI-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 693.85, ALogP 3.66, HBA 13, HBD 3, PSA 168.76, QED 0.11
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)c3ccnn3-c3ccccc3)s2)s1)c1ccnn1-c1ccccc1
InChIKey: JOISPNXBQMDPEJ-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 = 3900 nM (pChEMBL 5.409999847412109)
Descriptors: MW 596.7, ALogP 4.83, HBA 12, HBD 2, PSA 145.4, QED 0.2
Compound (SMILES): NCC(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(CN)c3ccccc3)s2)s1)c1ccccc1
InChIKey: VQTYJHZQUJTNCE-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 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 582.78, ALogP 3.27, HBA 11, HBD 4, PSA 161.8, QED 0.16
Compound (SMILES): NCC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(CN)c3ccccc3)s2)s1)c1ccccc1
InChIKey: ZYXVAVASAOBIJY-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 = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 550.71, ALogP 3.32, HBA 10, HBD 4, PSA 161.8, QED 0.18
Compound (SMILES): CC(=O)NCC(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(CNC(C)=O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: CXYDJWJJCHEFIW-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 = 9800 nM (pChEMBL 5.010000228881836)
Descriptors: MW 666.86, ALogP 3.62, HBA 11, HBD 4, PSA 167.96, QED 0.13
Compound (SMILES): O=C(Cc1cc2ccccc2s1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cc4ccccc4s3)s2)s1
InChIKey: KKYBKEKIXYBVDQ-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 = 15000 nM (pChEMBL 4.820000171661377)
Descriptors: MW 604.81, ALogP 6.75, HBA 10, HBD 2, PSA 109.76, QED 0.16
Compound (SMILES): COC(=O)C(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(C(=O)OC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: NWAQHSVFNNFZCO-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 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 640.77, ALogP 3.7, HBA 13, HBD 2, PSA 162.36, QED 0.12
Compound (SMILES): N=C(CCCCc1nnc(NC(=O)Cc2cccc(OCCO)c2)s1)SC(=N)NC(=O)Cc1cccc(OCCO)c1
InChIKey: TWWOUNYTWFQEGN-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 614.75, ALogP 3.18, HBA 12, HBD 6, PSA 190.6, QED 0.08
Compound (SMILES): O=C(Cc1cccc(OCCO)c1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccc(OCCO)c3)s2)s1
InChIKey: XRHASVLEPVYIMN-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 644.8, ALogP 3.01, HBA 13, HBD 4, PSA 168.68, QED 0.12
Compound (SMILES): O=C(Cc1cccs1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccs3)s2)s1
InChIKey: WETZVFQFMMVDSI-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 522.73, ALogP 4.35, HBA 11, HBD 2, PSA 109.76, QED 0.28
Compound (SMILES): CC(=O)C[C@@H](C(=O)NC(=N)SC(=N)CSCCC(=N)SC(=N)NC(=O)[C@H](OC(C)=O)c1ccccc1)c1ccccc1
InChIKey: ZJVVPNDEIDQXJH-ZJSXRUAMSA-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 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 628.8, ALogP 4.7, HBA 12, HBD 6, PSA 196.97, QED 0.08
Compound (SMILES): N=C(CCSCC(=N)SC(=N)NC(=O)C(CO)c1ccccc1)SC(=N)NC(=O)C(CO)c1ccccc1
InChIKey: XPPRJYUINCGVHM-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 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 574.75, ALogP 3.18, HBA 11, HBD 8, PSA 194.06, QED 0.11
Compound (SMILES): O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1
InChIKey: PUDKTDVGIWAFBM-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 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 783.01, ALogP 3.69, HBA 15, HBD 2, PSA 153.16, QED 0.13
Compound (SMILES): N=C(CCCCc1nnc(NC(=O)Cc2cccc(OCCN3CCOCC3)c2)s1)SC(=N)NC(=O)Cc1cccc(OCCN2CCOCC2)c1
InChIKey: ZFSOQQMUMPFGAF-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 752.96, ALogP 3.86, HBA 14, HBD 4, PSA 175.08, QED 0.08
Compound (SMILES): N=C(CCSCC(=N)SC(=N)NC(=O)[C@@H](O)c1ccccc1)SC(=N)NC(=O)[C@@H](O)c1ccccc1
InChIKey: IOTMKOYLHQWJHO-OALUTQOASA-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 546.7, ALogP 3.1, HBA 11, HBD 8, PSA 194.06, QED 0.13