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USPatent US10040789

Compile data set for download or QSAR
Found 28 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278461
PNG
((2S)-2-[3-(difluoromethoxy)phenyl]-2-(dimethylamin...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C21H24F2N8O2S/c1-30(2)17(13-5-3-6-15(11-13)33-19(22)23)18(32)26-21-29-28-20(34-21)25-14-8-10-31(12-14)16-7-4-9-24-27-16/h3-7,9,11,14,17,19H,8,10,12H2,1-2H3,(H,25,28)(H,26,29,32)/t14-,17+/m1/s1
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US Patent
n/an/a 52.4n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278471
PNG
((1S)-2-methyl-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolid...)
Show SMILES CN1CCc2ccccc2[C@H]1C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C21H24N8OS/c1-28-11-8-14-5-2-3-6-16(14)18(28)19(30)24-21-27-26-20(31-21)23-15-9-12-29(13-15)17-7-4-10-22-25-17/h2-7,10,15,18H,8-9,11-13H2,1H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1
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n/an/a 53n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278463
PNG
((2S)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H23F3N8O2S/c1-31(2)17(13-5-3-6-15(11-13)34-21(22,23)24)18(33)27-20-30-29-19(35-20)26-14-8-10-32(12-14)16-7-4-9-25-28-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H,26,29)(H,27,30,33)/t14-,17+/m1/s1
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n/an/a 56.4n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278474
PNG
((2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[5-[[(...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(C)c1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-14-6-4-7-15(12-14)18(28(2)3)19(30)24-21-27-26-20(31-21)23-16-9-11-29(13-16)17-8-5-10-22-25-17/h4-8,10,12,16,18H,9,11,13H2,1-3H3,(H,23,26)(H,24,27,30)/t16-,18+/m1/s1
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n/an/a 59.2n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278417
PNG
((2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[5-[[(...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H23FN8OS/c1-28(2)17(13-5-7-14(21)8-6-13)18(30)24-20-27-26-19(31-20)23-15-9-11-29(12-15)16-4-3-10-22-25-16/h3-8,10,15,17H,9,11-12H2,1-2H3,(H,23,26)(H,24,27,30)/t15-,17+/m1/s1
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n/an/a 74.6n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278465
PNG
((2S)-2-(azetidin-1-yl)-2-[3-(difluoromethoxy)pheny...)
Show SMILES FC(F)Oc1cccc(c1)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H24F2N8O2S/c23-20(24)34-16-5-1-4-14(12-16)18(31-9-3-10-31)19(33)27-22-30-29-21(35-22)26-15-7-11-32(13-15)17-6-2-8-25-28-17/h1-2,4-6,8,12,15,18,20H,3,7,9-11,13H2,(H,26,29)(H,27,30,33)/t15-,18+/m1/s1
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n/an/a 77.2n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278398
PNG
((2S)-2-(Dimethylamino)-2-phenyl-N-[5-[[(3R)-1-pyri...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N8OS/c1-27(2)17(14-7-4-3-5-8-14)18(29)23-20-26-25-19(30-20)22-15-10-12-28(13-15)16-9-6-11-21-24-16/h3-9,11,15,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,26,29)/t15-,17+/m1/s1
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n/an/a 82.6n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278469
PNG
((2S)-2-(azetidin-1-yl)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES FC(F)(F)Oc1cccc(c1)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H23F3N8O2S/c23-22(24,25)35-16-5-1-4-14(12-16)18(32-9-3-10-32)19(34)28-21-31-30-20(36-21)27-15-7-11-33(13-15)17-6-2-8-26-29-17/h1-2,4-6,8,12,15,18H,3,7,9-11,13H2,(H,27,30)(H,28,31,34)/t15-,18+/m1/s1
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n/an/a 102n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278475
PNG
((2S)-2-(Azetidin-1-yl)-2-[4-fluoro-3-(trifluoromet...)
Show SMILES Fc1ccc(cc1OC(F)(F)F)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H22F4N8O2S/c23-15-5-4-13(11-16(15)36-22(24,25)26)18(33-8-2-9-33)19(35)29-21-32-31-20(37-21)28-14-6-10-34(12-14)17-3-1-7-27-30-17/h1,3-5,7,11,14,18H,2,6,8-10,12H2,(H,28,31)(H,29,32,35)/t14-,18+/m1/s1
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n/an/a 132n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278473
PNG
((2S)-2-(dimethylamino)-2-(4-methylphenyl)-N-[5-[[(...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-14-6-8-15(9-7-14)18(28(2)3)19(30)24-21-27-26-20(31-21)23-16-10-12-29(13-16)17-5-4-11-22-25-17/h4-9,11,16,18H,10,12-13H2,1-3H3,(H,23,26)(H,24,27,30)/t16-,18+/m1/s1
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n/an/a 132n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278463
PNG
((2S)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H23F3N8O2S/c1-31(2)17(13-5-3-6-15(11-13)34-21(22,23)24)18(33)27-20-30-29-19(35-20)26-14-8-10-32(12-14)16-7-4-9-25-28-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H,26,29)(H,27,30,33)/t14-,17+/m1/s1
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n/an/a 182n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278483
PNG
((2S)-2-(dimethylamino)-2-(o-tolyl)-N-[5-[[(3R)- | ...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1C |r|
Show InChI InChI=1S/C21H26N8OS/c1-14-7-4-5-8-16(14)18(28(2)3)19(30)24-21-27-26-20(31-21)23-15-10-12-29(13-15)17-9-6-11-22-25-17/h4-9,11,15,18H,10,12-13H2,1-3H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1
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n/an/a 187n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278471
PNG
((1S)-2-methyl-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolid...)
Show SMILES CN1CCc2ccccc2[C@H]1C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C21H24N8OS/c1-28-11-8-14-5-2-3-6-16(14)18(28)19(30)24-21-27-26-20(31-21)23-15-9-12-29(13-15)17-7-4-10-22-25-17/h2-7,10,15,18H,8-9,11-13H2,1H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1
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n/an/a 194n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278482
PNG
((2S)-2-(dimethylamino)-2-(4-methoxyphenyl)-N- | US...)
Show SMILES COc1ccc(cc1)[C@H](N(C)C)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C21H26N8O2S/c1-28(2)18(14-6-8-16(31-3)9-7-14)19(30)24-21-27-26-20(32-21)23-15-10-12-29(13-15)17-5-4-11-22-25-17/h4-9,11,15,18H,10,12-13H2,1-3H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1
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n/an/a 198n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278479
PNG
((2S)-2-(3-cyanophenyl)-2-(dimethylamino)-N-[5-[[(3...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(c1)[N+]#[C-] |r|
Show InChI InChI=1S/C21H23N9OS/c1-22-15-7-4-6-14(12-15)18(29(2)3)19(31)25-21-28-27-20(32-21)24-16-9-11-30(13-16)17-8-5-10-23-26-17/h4-8,10,12,16,18H,9,11,13H2,2-3H3,(H,24,27)(H,25,28,31)/t16-,18+/m1/s1
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n/an/a 226n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278477
PNG
((2S)-2-(azetidin-1-yl)-N-[5-[[(3R)-1-(6-fluoropyri...)
Show SMILES Fc1ccc(nn1)N1CC[C@H](C1)Nc1nnc(NC(=O)[C@@H](N2CCC2)c2cccc(OC(F)(F)F)c2)s1 |r|
Show InChI InChI=1S/C22H22F4N8O2S/c23-16-5-6-17(30-29-16)34-10-7-14(12-34)27-20-31-32-21(37-20)28-19(35)18(33-8-2-9-33)13-3-1-4-15(11-13)36-22(24,25)26/h1,3-6,11,14,18H,2,7-10,12H2,(H,27,31)(H,28,32,35)/t14-,18+/m1/s1
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n/an/a 246n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278461
PNG
((2S)-2-[3-(difluoromethoxy)phenyl]-2-(dimethylamin...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C21H24F2N8O2S/c1-30(2)17(13-5-3-6-15(11-13)33-19(22)23)18(32)26-21-29-28-20(34-21)25-14-8-10-31(12-14)16-7-4-9-24-27-16/h3-7,9,11,14,17,19H,8,10,12H2,1-2H3,(H,25,28)(H,26,29,32)/t14-,17+/m1/s1
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n/an/a 261n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278463
PNG
((2S)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H23F3N8O2S/c1-31(2)17(13-5-3-6-15(11-13)34-21(22,23)24)18(33)27-20-30-29-19(35-20)26-14-8-10-32(12-14)16-7-4-9-25-28-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H,26,29)(H,27,30,33)/t14-,17+/m1/s1
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n/an/a 522n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278467
PNG
((2S)-2-(azetidin-1-yl)-2-(3-methoxyphenyl)-N-[5-[[...)
Show SMILES COc1cccc(c1)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H26N8O2S/c1-32-17-6-2-5-15(13-17)19(29-10-4-11-29)20(31)25-22-28-27-21(33-22)24-16-8-12-30(14-16)18-7-3-9-23-26-18/h2-3,5-7,9,13,16,19H,4,8,10-12,14H2,1H3,(H,24,27)(H,25,28,31)/t16-,19+/m1/s1
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n/an/a 944n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278475
PNG
((2S)-2-(Azetidin-1-yl)-2-[4-fluoro-3-(trifluoromet...)
Show SMILES Fc1ccc(cc1OC(F)(F)F)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H22F4N8O2S/c23-15-5-4-13(11-16(15)36-22(24,25)26)18(33-8-2-9-33)19(35)29-21-32-31-20(37-21)28-14-6-10-34(12-14)17-3-1-7-27-30-17/h1,3-5,7,11,14,18H,2,6,8-10,12H2,(H,28,31)(H,29,32,35)/t14-,18+/m1/s1
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n/an/a 952n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278467
PNG
((2S)-2-(azetidin-1-yl)-2-(3-methoxyphenyl)-N-[5-[[...)
Show SMILES COc1cccc(c1)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H26N8O2S/c1-32-17-6-2-5-15(13-17)19(29-10-4-11-29)20(31)25-22-28-27-21(33-22)24-16-8-12-30(14-16)18-7-3-9-23-26-18/h2-3,5-7,9,13,16,19H,4,8,10-12,14H2,1H3,(H,24,27)(H,25,28,31)/t16-,19+/m1/s1
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n/an/a 981n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278465
PNG
((2S)-2-(azetidin-1-yl)-2-[3-(difluoromethoxy)pheny...)
Show SMILES FC(F)Oc1cccc(c1)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H24F2N8O2S/c23-20(24)34-16-5-1-4-14(12-16)18(31-9-3-10-31)19(33)27-22-30-29-21(35-22)26-15-7-11-32(13-15)17-6-2-8-25-28-17/h1-2,4-6,8,12,15,18,20H,3,7,9-11,13H2,(H,26,29)(H,27,30,33)/t15-,18+/m1/s1
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n/an/a 981n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278417
PNG
((2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[5-[[(...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H23FN8OS/c1-28(2)17(13-5-7-14(21)8-6-13)18(30)24-20-27-26-19(31-20)23-15-9-11-29(12-15)16-4-3-10-22-25-16/h3-8,10,15,17H,9,11-12H2,1-2H3,(H,23,26)(H,24,27,30)/t15-,17+/m1/s1
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n/an/a 1.24E+3n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278469
PNG
((2S)-2-(azetidin-1-yl)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES FC(F)(F)Oc1cccc(c1)[C@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H23F3N8O2S/c23-22(24,25)35-16-5-1-4-14(12-16)18(32-9-3-10-32)19(34)28-21-31-30-20(36-21)27-15-7-11-33(13-15)17-6-2-8-26-29-17/h1-2,4-6,8,12,15,18H,3,7,9-11,13H2,(H,27,30)(H,28,31,34)/t15-,18+/m1/s1
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n/an/a 1.33E+3n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278398
PNG
((2S)-2-(Dimethylamino)-2-phenyl-N-[5-[[(3R)-1-pyri...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N8OS/c1-27(2)17(14-7-4-3-5-8-14)18(29)23-20-26-25-19(30-20)22-15-10-12-28(13-15)16-9-6-11-21-24-16/h3-9,11,15,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,26,29)/t15-,17+/m1/s1
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n/an/a 1.72E+3n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278480
PNG
((2R)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CN(C)[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H23F3N8O2S/c1-31(2)17(13-5-3-6-15(11-13)34-21(22,23)24)18(33)27-20-30-29-19(35-20)26-14-8-10-32(12-14)16-7-4-9-25-28-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H,26,29)(H,27,30,33)/t14-,17-/m1/s1
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n/an/a 2.26E+3n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278477
PNG
((2S)-2-(azetidin-1-yl)-N-[5-[[(3R)-1-(6-fluoropyri...)
Show SMILES Fc1ccc(nn1)N1CC[C@H](C1)Nc1nnc(NC(=O)[C@@H](N2CCC2)c2cccc(OC(F)(F)F)c2)s1 |r|
Show InChI InChI=1S/C22H22F4N8O2S/c23-16-5-6-17(30-29-16)34-10-7-14(12-34)27-20-31-32-21(37-20)28-19(35)18(33-8-2-9-33)13-3-1-4-15(11-13)36-22(24,25)26/h1,3-6,11,14,18H,2,7-10,12H2,(H,27,31)(H,28,32,35)/t14-,18+/m1/s1
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n/an/a 2.51E+3n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278481
PNG
((2R)-2-(dimethylamino)-2-(4-methoxyphenyl)-N- | US...)
Show SMILES COc1ccc(cc1)[C@@H](N(C)C)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C21H26N8O2S/c1-28(2)18(14-6-8-16(31-3)9-7-14)19(30)24-21-27-26-20(32-21)23-15-10-12-29(13-15)17-5-4-11-22-25-17/h4-9,11,15,18H,10,12-13H2,1-3H3,(H,23,26)(H,24,27,30)/t15-,18-/m1/s1
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n/an/a 3.75E+3n/an/an/an/a7.825



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040789 (2018)


BindingDB Entry DOI: 10.7270/Q2TB18X9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%