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PubMed code 31474484

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525789
PNG
(CHEMBL4469854)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CC3)s2)s1
Show InChI InChI=1S/C21H23N7O3S2/c29-16(12-13-4-2-1-3-5-13)22-18-25-27-21(33-18)31-15-8-10-28(11-9-15)20-26-24-19(32-20)23-17(30)14-6-7-14/h1-5,14-15H,6-12H2,(H,22,25,29)(H,23,24,30)
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n/an/a 10n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525789
PNG
(CHEMBL4469854)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CC3)s2)s1
Show InChI InChI=1S/C21H23N7O3S2/c29-16(12-13-4-2-1-3-5-13)22-18-25-27-21(33-18)31-15-8-10-28(11-9-15)20-26-24-19(32-20)23-17(30)14-6-7-14/h1-5,14-15H,6-12H2,(H,22,25,29)(H,23,24,30)
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n/an/a 10n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525793
PNG
(CHEMBL4436129)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CCC3)s2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(13-14-5-2-1-3-6-14)23-19-26-28-22(34-19)32-16-9-11-29(12-10-16)21-27-25-20(33-21)24-18(31)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13H2,(H,23,26,30)(H,24,25,31)
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n/an/a 17n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525793
PNG
(CHEMBL4436129)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CCC3)s2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(13-14-5-2-1-3-6-14)23-19-26-28-22(34-19)32-16-9-11-29(12-10-16)21-27-25-20(33-21)24-18(31)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13H2,(H,23,26,30)(H,24,25,31)
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n/an/a 17n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525797
PNG
(CHEMBL4524344)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30)
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n/an/a 27n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525797
PNG
(CHEMBL4524344)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30)
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n/an/a 27n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525795
PNG
(CHEMBL4459383)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(12-14-4-2-1-3-5-14)24-20-26-28-22(34-20)32-16-8-10-29(11-9-16)21-27-25-19(33-21)23-18(31)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,25,31)(H,24,26,30)
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n/an/a 29n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525795
PNG
(CHEMBL4459383)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(12-14-4-2-1-3-5-14)24-20-26-28-22(34-20)32-16-8-10-29(11-9-16)21-27-25-19(33-21)23-18(31)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,25,31)(H,24,26,30)
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n/an/a 29n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525790
PNG
(CHEMBL4578823)
Show SMILES CC(C)(C)C(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C22H27N7O3S2/c1-22(2,3)17(31)24-19-26-28-21(34-19)32-15-9-11-29(12-10-15)20-27-25-18(33-20)23-16(30)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,25,30)(H,24,26,31)
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n/an/a 38n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525790
PNG
(CHEMBL4578823)
Show SMILES CC(C)(C)C(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C22H27N7O3S2/c1-22(2,3)17(31)24-19-26-28-21(34-19)32-15-9-11-29(12-10-15)20-27-25-18(33-20)23-16(30)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,25,30)(H,24,26,31)
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n/an/a 38n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525796
PNG
(CHEMBL4454551)
Show SMILES CCC(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29)
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n/an/a 102n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525796
PNG
(CHEMBL4454551)
Show SMILES CCC(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29)
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n/an/a 103n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149992
PNG
(CHEMBL3769897)
Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)
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n/an/a 157n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149992
PNG
(CHEMBL3769897)
Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)
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n/an/a 158n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525792
PNG
(CHEMBL4588969)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1
Show InChI InChI=1S/C19H25N7O3S2/c27-14(10-11-4-5-11)20-16-22-24-18(30-16)26-8-6-13(7-9-26)29-19-25-23-17(31-19)21-15(28)12-2-1-3-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)
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n/an/a 162n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525792
PNG
(CHEMBL4588969)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1
Show InChI InChI=1S/C19H25N7O3S2/c27-14(10-11-4-5-11)20-16-22-24-18(30-16)26-8-6-13(7-9-26)29-19-25-23-17(31-19)21-15(28)12-2-1-3-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)
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n/an/a 162n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525794
PNG
(CHEMBL4454980)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)CC2CC2)s1
Show InChI InChI=1S/C18H25N7O3S2/c1-10(2)14(27)20-16-21-23-17(29-16)25-7-5-12(6-8-25)28-18-24-22-15(30-18)19-13(26)9-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,19,22,26)(H,20,21,27)
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n/an/a 200n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525794
PNG
(CHEMBL4454980)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)CC2CC2)s1
Show InChI InChI=1S/C18H25N7O3S2/c1-10(2)14(27)20-16-21-23-17(29-16)25-7-5-12(6-8-25)28-18-24-22-15(30-18)19-13(26)9-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,19,22,26)(H,20,21,27)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525791
PNG
(CHEMBL4441341)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1
Show InChI InChI=1S/C18H25N7O3S2/c1-10(2)13(26)19-15-21-23-17(29-15)25-8-6-12(7-9-25)28-18-24-22-16(30-18)20-14(27)11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,19,21,26)(H,20,22,27)
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n/an/a 240n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525791
PNG
(CHEMBL4441341)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)C2CCC2)s1
Show InChI InChI=1S/C18H25N7O3S2/c1-10(2)13(26)19-15-21-23-17(29-15)25-8-6-12(7-9-25)28-18-24-22-16(30-18)20-14(27)11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,19,21,26)(H,20,22,27)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%