lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)CC(=O)NC(C)c1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1
InChIKey: MOSPDJNMCYSLQC-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 617.82, ALogP 5.79, HBA 8, HBD 5, PSA 160.78, QED 0.07
Compound (SMILES): CC(NS(C)(=O)=O)c1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1
InChIKey: XGYLWGANBWYYTC-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 611.79, ALogP 4.18, HBA 9, HBD 5, PSA 177.85, QED 0.09
Compound (SMILES): O=C(O)Cc1cccc(OCC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
InChIKey: XCDWCTAAULEUIZ-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 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 560.64, ALogP 3.72, HBA 9, HBD 3, PSA 156.29, QED 0.2
Compound (SMILES): COC(=O)Cc1cccc(OCC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
InChIKey: CBPYJWDBHMWSJV-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 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 574.66, ALogP 3.81, HBA 10, HBD 2, PSA 145.29, QED 0.17
Compound (SMILES): CCCC(=O)OCN(C(=O)Cc1ccccc1)c1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1
InChIKey: IAIWZKNPZDKTAE-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 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 670.71, ALogP 5.85, HBA 10, HBD 1, PSA 136.5, QED 0.09
Compound (SMILES): CC(C)(C)OC(=O)NC(C)(C)c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
InChIKey: KESRXTZBWLSUED-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 643.81, ALogP 6.02, HBA 9, HBD 3, PSA 148.09, QED 0.15
Compound (SMILES): CC(C)(C)OC(=O)NC(C)(C)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
InChIKey: GESMQLZDKBINBS-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 643.81, ALogP 6.02, HBA 9, HBD 3, PSA 148.09, QED 0.15
Compound (SMILES): CC(C)(N)c1cccc(CC(=O)Nc2nnc(CCCCC(=N)CCC(=N)NC(=O)Cc3ccccc3)s2)c1
InChIKey: RTSOBXZZQRSYIB-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 547.73, ALogP 4.76, HBA 8, HBD 5, PSA 157.7, QED 0.11
Compound (SMILES): CC(C)(N)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
InChIKey: KKQPVGMPJLVCLL-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 543.7, ALogP 4.45, HBA 8, HBD 3, PSA 135.78, QED 0.22
Compound (SMILES): CS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
InChIKey: HFDCKLZYGJKGBC-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 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 578.72, ALogP 3.8, HBA 9, HBD 2, PSA 143.9, QED 0.23
Compound (SMILES): CS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
InChIKey: LDESLTRONKVTHF-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 578.72, ALogP 3.8, HBA 9, HBD 2, PSA 143.9, QED 0.23
Compound (SMILES): CC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1)c1ccccc1
InChIKey: ROQOBSHXSCJFAR-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 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 584.62, ALogP 5.72, HBA 8, HBD 2, PSA 118.99, QED 0.2
Compound (SMILES): CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCC(=N)CCC(=N)NC(=O)Cc3ccccc3)s2)c1
InChIKey: XKFWFCLZWSDSPV-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 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 624.83, ALogP 5.28, HBA 9, HBD 4, PSA 165.82, QED 0.09
Compound (SMILES): CCN(CC)C(=O)COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
InChIKey: NYFJRFLWXQURHK-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 615.76, ALogP 4.5, HBA 9, HBD 2, PSA 139.3, QED 0.18
Compound (SMILES): CC(C)CNC(=O)COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
InChIKey: YIPBNAJMHCASCU-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 615.76, ALogP 4.41, HBA 9, HBD 3, PSA 148.09, QED 0.16
Compound (SMILES): Cc1noc(Cc2cccc(CC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)nn3)c2)n1
InChIKey: WQKCSRVDFWJXTL-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 582.69, ALogP 4.54, HBA 10, HBD 2, PSA 148.68, QED 0.19
Compound (SMILES): O=C(Cc1cccc2c1CNC2)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1
InChIKey: ABLRXHMOFAHQKI-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 611.65, ALogP 4.76, HBA 9, HBD 3, PSA 131.02, QED 0.2
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc4c3CNC4)s2)nn1
InChIKey: FZKQIALFNAKLCS-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 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 527.65, ALogP 3.86, HBA 8, HBD 3, PSA 121.79, QED 0.25
Compound (SMILES): CC(=O)N1Cc2cccc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2C1
InChIKey: BJFLOFQOVMXKCV-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 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 569.69, ALogP 4.12, HBA 8, HBD 2, PSA 130.07, QED 0.26
Compound (SMILES): Cc1nnc(Cc2cccc(CC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)nn3)c2)o1
InChIKey: VBYIFRKEBZRXKN-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 582.69, ALogP 4.54, HBA 10, HBD 2, PSA 148.68, QED 0.19
Compound (SMILES): CC(NC(=O)OC(C)(C)C)c1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1F
InChIKey: VENSOHGGFATORC-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 647.78, ALogP 5.98, HBA 9, HBD 3, PSA 148.09, QED 0.15
Compound (SMILES): CC(NC(=O)OC(C)(C)C)c1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)ccc1F
InChIKey: VMJRDYNITLNGAA-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 647.78, ALogP 5.98, HBA 9, HBD 3, PSA 148.09, QED 0.15
Compound (SMILES): CC(N)c1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1F
InChIKey: SKBMSEQBZNGIIU-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 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 547.66, ALogP 4.41, HBA 8, HBD 3, PSA 135.78, QED 0.22
Compound (SMILES): CC(N)c1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)ccc1F
InChIKey: GTBDKVWREPFEGQ-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 = 18 nM (pChEMBL 7.75)
Descriptors: MW 547.66, ALogP 4.41, HBA 8, HBD 3, PSA 135.78, QED 0.22
Compound (SMILES): Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1
InChIKey: SXFQBUKKIKMRPM-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 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 452.46, ALogP 3.56, HBA 8, HBD 2, PSA 115.91, QED 0.48
Compound (SMILES): COc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)s2)c1
InChIKey: VPGRTCFKGYVIOS-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 600.62, ALogP 5.16, HBA 9, HBD 2, PSA 128.22, QED 0.2
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cc(F)ccc3F)s2)nn1
InChIKey: NMAUBZDNIFLCTD-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 606.58, ALogP 5.43, HBA 8, HBD 2, PSA 118.99, QED 0.16
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1
InChIKey: MBAZZANFKMSLFD-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 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 654.59, ALogP 6.05, HBA 9, HBD 2, PSA 128.22, QED 0.13
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccc(F)cc3)s2)nn1
InChIKey: VGPLTIRWBIWICN-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 588.59, ALogP 5.29, HBA 8, HBD 2, PSA 118.99, QED 0.17
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cc(F)cc(F)c3)s2)nn1
InChIKey: HHLUIUZVGQITDO-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 606.58, ALogP 5.43, HBA 8, HBD 2, PSA 118.99, QED 0.16
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(F)c3F)s2)nn1
InChIKey: FBMFFBGPUNBCNP-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 606.58, ALogP 5.43, HBA 8, HBD 2, PSA 118.99, QED 0.16
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)F)c3)s2)nn1
InChIKey: BAGOJANZLGJDHR-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 552.61, ALogP 4.86, HBA 8, HBD 2, PSA 118.99, QED 0.23
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OCC(F)(F)F)c3)s2)nn1
InChIKey: MAQXDTODXJQIRI-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 584.62, ALogP 5.2, HBA 8, HBD 2, PSA 118.99, QED 0.21
Compound (SMILES): O=C(Cc1cccc(OC(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIKey: KRTRGYMEOYWRKI-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 552.61, ALogP 4.86, HBA 8, HBD 2, PSA 118.99, QED 0.23
Compound (SMILES): O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIKey: KATAZNVAEYWZLL-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 584.62, ALogP 5.2, HBA 8, HBD 2, PSA 118.99, QED 0.21
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)F)c3)s2)nn1
InChIKey: CWBIRWDPNDFZPG-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 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 636.6, ALogP 5.76, HBA 9, HBD 2, PSA 128.22, QED 0.13
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OCC(F)(F)F)c3)s2)nn1
InChIKey: OOQPQPACUZLVEV-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 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 668.62, ALogP 6.1, HBA 9, HBD 2, PSA 128.22, QED 0.12
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1
InChIKey: PRAAPINBUWJLGA-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 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 571.59, ALogP 4.55, HBA 9, HBD 2, PSA 131.88, QED 0.24
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)nn1
InChIKey: HXVUCOSFCZYVMC-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 571.59, ALogP 4.55, HBA 9, HBD 2, PSA 131.88, QED 0.24
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccncc3)s2)nn1
InChIKey: DVADEAFUNXLALS-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 571.59, ALogP 4.55, HBA 9, HBD 2, PSA 131.88, QED 0.24
Compound (SMILES): O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3F)s2)nn1
InChIKey: TWKLHIDOFDFNQS-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 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 588.59, ALogP 5.29, HBA 8, HBD 2, PSA 118.99, QED 0.17
Compound (SMILES): CSc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)s2)c1
InChIKey: IKJNBJCYDNHKKV-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 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 616.69, ALogP 5.88, HBA 9, HBD 2, PSA 118.99, QED 0.14
Compound (SMILES): CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)s2)s1)c1ccccc1
InChIKey: DIHVSFKMLONPLJ-CLJLJLNGSA-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 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 754.96, ALogP 6.32, HBA 13, HBD 4, PSA 186.42, QED 0.11
Compound (SMILES): N[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](N)c3ccccc3)s2)s1)c1ccccc1
InChIKey: VJXBEJWMWIMCGK-WOJBJXKFSA-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 = 8300 nM (pChEMBL 5.079999923706055)
Descriptors: MW 554.73, ALogP 3.19, HBA 11, HBD 4, PSA 161.8, QED 0.19
Compound (SMILES): O=CO[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC=O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: CGQHRQGSEUINCY-FGZHOGPDSA-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 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 580.65, ALogP 3.66, HBA 12, HBD 2, PSA 162.36, QED 0.16
Compound (SMILES): O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)s1)[C@H](O)c1ccccc1
InChIKey: NQTDSXJWWJFUJP-WOJBJXKFSA-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 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 524.63, ALogP 3.3, HBA 10, HBD 4, PSA 150.22, QED 0.22
Compound (SMILES): O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)s1)[C@H](O)c1ccccc1
InChIKey: ULISWMYWMAVCAG-WOJBJXKFSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 556.7, ALogP 3.25, HBA 11, HBD 4, PSA 150.22, QED 0.19
Compound (SMILES): CN(C)[C@H](Cc1ccccc1)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](Cc3ccccc3)N(C)C)s2)s1
InChIKey: YVPOBLWJFXTOIR-DNQXCXABSA-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 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 606.82, ALogP 4.18, HBA 10, HBD 2, PSA 116.24, QED 0.19
Compound (SMILES): O=C(C[C@H](O)c1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)C[C@H](O)c3ccccc3)s2)s1
InChIKey: ORLCBTQGACEJEM-PMACEKPBSA-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 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 552.68, ALogP 4.08, HBA 10, HBD 4, PSA 150.22, QED 0.18
Compound (SMILES): CC(=O)N[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](NC(C)=O)c3ccccc3)s2)s1)c1ccccc1
InChIKey: SDAJJNKQGOIDKN-DNQXCXABSA-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 = 32000 nM (pChEMBL 4.5)
Descriptors: MW 638.8, ALogP 3.54, HBA 11, HBD 4, PSA 167.96, QED 0.15
Compound (SMILES): O=C(CCc1ccccc1)N[C@H](CO)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](CO)NC(=O)CCc3ccccc3)s2)s1
InChIKey: VUXISOLUDPDDHQ-DNQXCXABSA-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 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 726.91, ALogP 2, HBA 13, HBD 6, PSA 208.42, QED 0.07
Compound (SMILES): CCC(O)(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(O)(CC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: ZJWPMPSMNNBBRN-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 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 612.8, ALogP 4.38, HBA 11, HBD 4, PSA 150.22, QED 0.15
Compound (SMILES): CCC(O)(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(O)(CC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: OLJCRCQTPILEMB-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 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 580.74, ALogP 4.43, HBA 10, HBD 4, PSA 150.22, QED 0.17
Compound (SMILES): CO[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC)c3ccccc3)s2)s1)c1ccccc1
InChIKey: FRBMNEDJSOBHHU-SZPZYZBQSA-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 = 620 nM (pChEMBL 6.210000038146973)
Descriptors: MW 552.68, ALogP 4.61, HBA 10, HBD 2, PSA 128.22, QED 0.23
Compound (SMILES): O=C(Cc1cccc(F)c1)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)C(=O)O)s2)s1
InChIKey: VKUUDJAAFBZTBN-CYBMUJFWSA-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 508.56, ALogP 2.05, HBA 10, HBD 4, PSA 167.29, QED 0.27
Compound (SMILES): O=C(C[C@@H](O)C(=O)O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)C(=O)O)s2)s1
InChIKey: JSVFKZZUXWFYHM-HTQZYQBOSA-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 = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 488.5, ALogP -0.5, HBA 12, HBD 6, PSA 224.82, QED 0.2
Compound (SMILES): O=C(C[C@@H](O)Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)Cc3ccccc3)s2)s1
InChIKey: CSEQZSDJGOCEEB-VXKWHMMOSA-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 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 580.74, ALogP 3.82, HBA 10, HBD 4, PSA 150.22, QED 0.16
Compound (SMILES): N[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](N)c3ccccc3)s2)s1)c1ccccc1
InChIKey: FUDOOJFACOTHDC-PMACEKPBSA-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 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 522.66, ALogP 3.23, HBA 10, HBD 4, PSA 161.8, QED 0.22
Compound (SMILES): CC1(C)C[C@@H](C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@@H]4OC(C)(C)O[C@H]4c4ccccc4)s3)s2)[C@H](c2ccccc2)C1
InChIKey: GPHRVAHNENPHJT-RQDZCNCFSA-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 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 660.87, ALogP 6.94, HBA 10, HBD 2, PSA 128.22, QED 0.17
Compound (SMILES): CC1(C)O[C@@H](C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@@H]4OC(C)(C)O[C@H]4c4ccccc4)s3)s2)[C@H](c2ccccc2)O1
InChIKey: NUBWYHXTMATQDK-QEGGNFSNSA-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 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 664.81, ALogP 5.62, HBA 12, HBD 2, PSA 146.68, QED 0.19
Compound (SMILES): O=C(C[C@@H](O)[C@H](O)c1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)[C@H](O)c3ccccc3)s2)s1
InChIKey: MUNFPJJPDIUBQL-DOOQXGAZSA-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 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 612.73, ALogP 2.8, HBA 12, HBD 6, PSA 190.68, QED 0.11
Compound (SMILES): O=C(C[C@H](O)[C@@H](O)c1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)C[C@H](O)[C@@H](O)c3ccccc3)s2)s1
InChIKey: MUNFPJJPDIUBQL-HKDRDPIHSA-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 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 612.73, ALogP 2.8, HBA 12, HBD 6, PSA 190.68, QED 0.11
Compound (SMILES): O=C(CN1C(=O)OC[C@H]1c1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)CN3C(=O)OC[C@H]3c3ccccc3)s2)s1
InChIKey: PUXYCTYQCRUGON-VXKWHMMOSA-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 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 694.82, ALogP 4.17, HBA 13, HBD 2, PSA 168.84, QED 0.18
Compound (SMILES): C[C@@H](O)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIKey: BSINHCGMDPPLSL-GFCCVEGCSA-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 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 446.56, ALogP 2.46, HBA 9, HBD 3, PSA 129.99, QED 0.41
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1
InChIKey: YMVAHDWFRWUEDF-XMMPIXPASA-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 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 537.05, ALogP 4.4, HBA 8, HBD 3, PSA 129.99, QED 0.24
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)nn1
InChIKey: HFZZPNIXRJVESQ-XMMPIXPASA-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 = 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)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)s2)nn1
InChIKey: NERVCIFBNPSTKT-XMMPIXPASA-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 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 538.58, ALogP 4.03, HBA 8, HBD 3, PSA 129.99, QED 0.25
Compound (SMILES): CCOC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIKey: KDTCCUCQJBWMAC-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 = 810 nM (pChEMBL 6.090000152587891)
Descriptors: MW 446.56, ALogP 3.7, HBA 9, HBD 2, PSA 118.99, QED 0.46
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1
InChIKey: ZDGBHYYLEBRVFM-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 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 621.79, ALogP 4.03, HBA 11, HBD 2, PSA 131.46, QED 0.19
Compound (SMILES): C[C@@](O)(C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(F)(F)F
InChIKey: XMMGDEJBFVOKEG-SSEXGKCCSA-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 655.7, ALogP 4.19, HBA 9, HBD 4, PSA 159.09, QED 0.15