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Compile Data Set for Download or QSAR

Found 248 hits of ic50 data for polymerid = 50006211,50006212,50007379   
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))
BDBM50172241
PNG
(CHEMBL3810168)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-15(11-3-2-4-13(7-11)33-19(20,21)22)16(31)26-18-29-28-17(34-18)25-12-5-6-30(9-12)14-8-23-10-24-27-14/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H,25,28)(H,26,29,31)/t12-,15-/m1/s1
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n/an/a 0.206n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172181
PNG
(CHEMBL3810394 | US10040788, Example 3)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1
Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1S/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/m1/s1
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n/an/a 0.401n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172138
PNG
(CHEMBL3808443 | US10040788, Example 1(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccccc1
Show InChI InChI=1S/C18H20N8O2S/c1-28-14(12-5-3-2-4-6-12)15(27)22-18-25-24-17(29-18)21-13-7-10-26(11-13)16-19-8-9-20-23-16/h2-6,8-9,13-14H,7,10-11H2,1H3,(H,21,24)(H,22,25,27)/t13-,14+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172242
PNG
(CHEMBL3809081)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccc(F)c(OC)c1
Show InChI InChI=1S/C19H21FN8O3S/c1-30-14-7-11(3-4-13(14)20)16(31-2)17(29)24-19-27-26-18(32-19)23-12-5-6-28(9-12)15-8-21-10-22-25-15/h3-4,7-8,10,12,16H,5-6,9H2,1-2H3,(H,23,26)(H,24,27,29)/t12-,16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278409
PNG
((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[5-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C20H21F2N7O3S/c1-31-16(12-4-2-5-14(10-12)32-18(21)22)17(30)25-20-28-27-19(33-20)24-13-7-9-29(11-13)15-6-3-8-23-26-15/h2-6,8,10,13,16,18H,7,9,11H2,1H3,(H,24,27)(H,25,28,30)/t13-,16+/m1/s1
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n/an/a 14.8n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1
Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1
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n/an/a 15.3n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1
Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1
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n/an/a 16.2n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278413
PNG
((2S)-2-Methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrroli...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H20F3N7O3S/c1-32-16(12-4-2-5-14(10-12)33-20(21,22)23)17(31)26-19-29-28-18(34-19)25-13-7-9-30(11-13)15-6-3-8-24-27-15/h2-6,8,10,13,16H,7,9,11H2,1H3,(H,25,28)(H,26,29,31)/t13-,16+/m1/s1
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n/an/a 18.6n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278450
PNG
(US10040788, Example 30(b))
Show SMILES CCO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC)c1
Show InChI InChI=1S/C21H25N7O3S/c1-3-31-18(14-6-4-7-16(12-14)30-2)19(29)24-21-27-26-20(32-21)23-15-9-11-28(13-15)17-8-5-10-22-25-17/h4-8,10,12,15,18H,3,9,11,13H2,1-2H3,(H,23,26)(H,24,27,29)/t15-,18-/m0/s1
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n/an/a 21n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1
Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1
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n/an/a 21.3n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278405
PNG
((2S)-2-Methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-p...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC)c1
Show InChI InChI=1S/C20H23N7O3S/c1-29-15-6-3-5-13(11-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-8-10-27(12-14)16-7-4-9-21-24-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/m1/s1
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n/an/a 21.5n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278418
PNG
((2S)-2-(4-Fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-py...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN7O2S/c1-29-16(12-4-6-13(20)7-5-12)17(28)23-19-26-25-18(30-19)22-14-8-10-27(11-14)15-3-2-9-21-24-15/h2-7,9,14,16H,8,10-11H2,1H3,(H,22,25)(H,23,26,28)/t14-,16-/m1/s1
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n/an/a 22n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM332752
PNG
((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[6-...)
Show SMILES CO[C@H](C(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C22H23F2N7O3/c1-33-20(14-4-2-5-16(12-14)34-22(23)24)21(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h2-8,10,12,15,20,22H,9,11,13H2,1H3,(H,26,28)(H,27,29,32)/t15-,20+/m1/s1
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n/an/a 24.7n/an/an/an/an/an/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
GLS Enzyme Potency AssayA Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity ...


US Patent US10196382 (2019)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM332757
PNG
(N-[6-[(3R)-3-(Pyridazin-3-ylamino)pyrrolidin-1-yl]...)
Show SMILES FC(F)(F)Oc1ccccc1CC(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1
Show InChI InChI=1S/C21H20F3N7O2/c22-21(23,24)33-16-5-2-1-4-14(16)12-20(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h1-8,10,15H,9,11-13H2,(H,26,28)(H,27,29,32)/t15-/m1/s1
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n/an/a 25.2n/an/an/an/an/an/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
GLS Enzyme Potency AssayA Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity ...


US Patent US10196382 (2019)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278422
PNG
((2S)-2-(4-Fluoro-3-methoxy-phenyl)-2-methoxy-N-[5-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)c(OC)c1
Show InChI InChI=1S/C20H22FN7O3S/c1-30-15-10-12(5-6-14(15)21)17(31-2)18(29)24-20-27-26-19(32-20)23-13-7-9-28(11-13)16-4-3-8-22-25-16/h3-6,8,10,13,17H,7,9,11H2,1-2H3,(H,23,26)(H,24,27,29)/t13-,17+/m1/s1
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n/an/a 25.5n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278420
PNG
((2S)-2-Ethoxy-2-(4-fluorophenyl)-N-[5-[[(3R)-1-pyr...)
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN7O2S/c1-2-30-17(13-5-7-14(21)8-6-13)18(29)24-20-27-26-19(31-20)23-15-9-11-28(12-15)16-4-3-10-22-25-16/h3-8,10,15,17H,2,9,11-12H2,1H3,(H,23,26)(H,24,27,29)/t15-,17-/m1/s1
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n/an/a 27n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278410
PNG
((2R)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[5-...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C20H21F2N7O3S/c1-31-16(12-4-2-5-14(10-12)32-18(21)22)17(30)25-20-28-27-19(33-20)24-13-7-9-29(11-13)15-6-3-8-23-26-15/h2-6,8,10,13,16,18H,7,9,11H2,1H3,(H,24,27)(H,25,28,30)/t13-,16-/m1/s1
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n/an/a 27.1n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278436
PNG
(US10040788, Example 23(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C19H20F2N8O3S/c1-31-15(11-3-2-4-13(7-11)32-17(20)21)16(30)25-19-28-27-18(33-19)24-12-5-6-29(9-12)14-8-22-10-23-26-14/h2-4,7-8,10,12,15,17H,5-6,9H2,1H3,(H,24,27)(H,25,28,30)/t12-,15+/m1/s1
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n/an/a 27.6n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278415
PNG
((2S)-2-Ethoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CCO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1
Show InChI InChI=1S/C20H23N7O2S/c1-2-29-17(14-7-4-3-5-8-14)18(28)23-20-26-25-19(30-20)22-15-10-12-27(13-15)16-9-6-11-21-24-16/h3-9,11,15,17H,2,10,12-13H2,1H3,(H,22,25)(H,23,26,28)/t15-,17+/m1/s1
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n/an/a 27.6n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172181
PNG
(CHEMBL3810394 | US10040788, Example 3)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1
Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1
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n/an/a 29n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172181
PNG
(CHEMBL3810394 | US10040788, Example 3)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1
Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged GLS1 (63-669 residues) (unknown origin) expressed in Escherichia coli using glutamine as substrate after 15 mins by Glutama...


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150108
PNG
(CHEMBL3770617)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)
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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 HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM332754
PNG
((2S)-2-Methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(p...)
Show SMILES CO[C@H](C(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1)c1cccc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-31-17-6-3-5-15(13-17)21(32-2)22(30)25-19-8-9-20(28-27-19)29-12-10-16(14-29)24-18-7-4-11-23-26-18/h3-9,11,13,16,21H,10,12,14H2,1-2H3,(H,24,26)(H,25,27,30)/t16-,21+/m1/s1
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n/an/a 29.8n/an/an/an/an/an/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
GLS Enzyme Potency AssayA Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity ...


US Patent US10196382 (2019)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150109
PNG
(CHEMBL3770355)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149988
PNG
(CHEMBL3770945)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H27BrN6O5S/c1-28-12-13-29-25(35)20(14-23(33)32-22-11-10-18(26)15-30-22)31-24(34)17-8-6-16(7-9-17)19-4-2-3-5-21(19)38(27,36)37/h2-11,15,20,28H,12-14H2,1H3,(H,29,35)(H,31,34)(H2,27,36,37)(H,30,32,33)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149986
PNG
(CHEMBL3770889)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H27BrN6O5S/c1-32(2)15-24(34)30-20(13-23(33)31-22-12-9-17(26)14-28-22)25(35)29-18-10-7-16(8-11-18)19-5-3-4-6-21(19)38(27,36)37/h3-12,14,20H,13,15H2,1-2H3,(H,29,35)(H,30,34)(H2,27,36,37)(H,28,31,33)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150062
PNG
(CHEMBL3769896)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Nc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H26N8O2S2/c31-17(12-14-4-2-1-3-5-14)24-20-27-26-19(33-20)23-16-8-10-30(11-9-16)22-29-28-21(34-22)25-18(32)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,26)(H,24,27,31)(H,25,28,32)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM332756
PNG
(N-[6-[(3R)-3-(Pyridazin-3-ylamino)pyrrolidin-1-yl]...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1
Show InChI InChI=1S/C21H20F3N7O/c22-21(23,24)16-5-2-1-4-14(16)12-20(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h1-8,10,15H,9,11-13H2,(H,26,28)(H,27,29,32)/t15-/m1/s1
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n/an/a 30.6n/an/an/an/an/an/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
GLS Enzyme Potency AssayA Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity ...


US Patent US10196382 (2019)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278411
PNG
((2S)-2-Methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)p...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-14(11-3-2-4-13(9-11)33-19(20,21)22)15(31)26-18-29-28-17(34-18)25-12-5-8-30(10-12)16-23-6-7-24-27-16/h2-4,6-7,9,12,14H,5,8,10H2,1H3,(H,25,28)(H,26,29,31)/t12-,14+/m1/s1
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n/an/a 30.6n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM332755
PNG
(2-(2-Methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylam...)
Show SMILES COc1ccccc1CC(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1
Show InChI InChI=1S/C21H23N7O2/c1-30-17-6-3-2-5-15(17)13-21(29)24-19-8-9-20(27-26-19)28-12-10-16(14-28)23-18-7-4-11-22-25-18/h2-9,11,16H,10,12-14H2,1H3,(H,23,25)(H,24,26,29)/t16-/m1/s1
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n/an/a 30.9n/an/an/an/an/an/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
GLS Enzyme Potency AssayA Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity ...


US Patent US10196382 (2019)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1S/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/m1/s1
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n/an/a 31n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1S/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged GLS1 (63-669 residues) (unknown origin) expressed in Escherichia coli using glutamine as substrate after 15 mins by Glutama...


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278414
PNG
((2R)-2-Methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrroli...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H20F3N7O3S/c1-32-16(12-4-2-5-14(10-12)33-20(21,22)23)17(31)26-19-29-28-18(34-19)25-13-7-9-30(11-13)15-6-3-8-24-27-15/h2-6,8,10,13,16H,7,9,11H2,1H3,(H,25,28)(H,26,29,31)/t13-,16-/m1/s1
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n/an/a 32.9n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278445
PNG
(US10040788, Example 28(a))
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1S/C21H25N7O3S/c1-3-31-18(14-6-8-16(30-2)9-7-14)19(29)24-21-27-26-20(32-21)23-15-10-12-28(13-15)17-5-4-11-22-25-17/h4-9,11,15,18H,3,10,12-13H2,1-2H3,(H,23,26)(H,24,27,29)/t15-,18-/m1/s1
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n/an/a 34.1n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238197
PNG
(CHEMBL4082885)
Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16-
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n/an/a 35n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...


J Med Chem 60: 5599-5612 (2017)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278439
PNG
(US10040788, Example 25(a))
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H25N7O4S/c1-30-15-7-6-13(11-16(15)31-2)18(32-3)19(29)24-21-27-26-20(33-21)23-14-8-10-28(12-14)17-5-4-9-22-25-17/h4-7,9,11,14,18H,8,10,12H2,1-3H3,(H,23,26)(H,24,27,29)/t14-,18-/m1/s1
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n/an/a 35.4n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278403
PNG
((2S)-2-Methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC)c1
Show InChI InChI=1S/C19H22N8O3S/c1-29-14-5-3-4-12(10-14)15(30-2)16(28)23-19-26-25-18(31-19)22-13-6-9-27(11-13)17-20-7-8-21-24-17/h3-5,7-8,10,13,15H,6,9,11H2,1-2H3,(H,22,25)(H,23,26,28)/t13-,15+/m1/s1
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n/an/a 35.5n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150066
PNG
(CHEMBL3771319)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)N1CCC(CC1)Oc1ccc(NC(=O)Cc2ccccc2)nn1
Show InChI InChI=1S/C27H27N7O3S/c35-23(17-19-7-3-1-4-8-19)28-22-11-12-25(31-30-22)37-21-13-15-34(16-14-21)27-33-32-26(38-27)29-24(36)18-20-9-5-2-6-10-20/h1-12,21H,13-18H2,(H,28,30,35)(H,29,32,36)
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n/an/a 36n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149985
PNG
(CHEMBL3769701)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C21H19ClN4O4S/c22-15-7-10-19(24-13-15)26-21(28)12-11-20(27)25-16-8-5-14(6-9-16)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,25,27)(H2,23,29,30)(H,24,26,28)
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n/an/a 36n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238209
PNG
(CHEMBL4072390)
Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C
Show InChI InChI=1S/C28H23N3O4S2/c1-4-17-12-19(5-6-20(17)13-23-25(32)29-27(34)36-23)18-7-9-22(10-8-18)31-15(2)11-21(16(31)3)14-24-26(33)30-28(35)37-24/h5-14H,4H2,1-3H3,(H,29,32,34)(H,30,33,35)/b23-13-,24-14-
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n/an/a 39n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...


J Med Chem 60: 5599-5612 (2017)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149984
PNG
(CHEMBL3769593)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C26H27BrN6O5S/c27-19-9-10-23(30-16-19)32-24(34)15-21(26(36)33-13-11-29-12-14-33)31-25(35)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,37)38/h1-10,16,21,29H,11-15H2,(H,31,35)(H2,28,37,38)(H,30,32,34)
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n/an/a 40n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172241
PNG
(CHEMBL3810168)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-15(11-3-2-4-13(7-11)33-19(20,21)22)16(31)26-18-29-28-17(34-18)25-12-5-6-30(9-12)14-8-23-10-24-27-14/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H,25,28)(H,26,29,31)/t12-,15-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged GLS1 (63-669 residues) (unknown origin) expressed in Escherichia coli using glutamine as substrate after 15 mins by Glutama...


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278435
PNG
(US10040788, Example 22(b))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-15(11-3-2-4-13(7-11)33-19(20,21)22)16(31)26-18-29-28-17(34-18)25-12-5-6-30(9-12)14-8-23-10-24-27-14/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H,25,28)(H,26,29,31)/t12-,15-/m0/s1
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n/an/a 43.4n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238195
PNG
(CHEMBL4090687)
Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2ccccc2)n(c1-c1ccccc1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C36H23N3O4S2/c40-33-30(44-35(42)37-33)19-22-11-13-23(14-12-22)24-15-17-28(18-16-24)39-29(25-7-3-1-4-8-25)20-27(21-31-34(41)38-36(43)45-31)32(39)26-9-5-2-6-10-26/h1-21H,(H,37,40,42)(H,38,41,43)/b30-19-,31-21-
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n/an/a 45n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...


J Med Chem 60: 5599-5612 (2017)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278433
PNG
(US10040788, Example 21(b))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC)c1
Show InChI InChI=1S/C19H22N8O3S/c1-29-14-5-3-4-12(8-14)16(30-2)17(28)23-19-26-25-18(31-19)22-13-6-7-27(10-13)15-9-20-11-21-24-15/h3-5,8-9,11,13,16H,6-7,10H2,1-2H3,(H,22,25)(H,23,26,28)/t13-,16-/m0/s1
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n/an/a 46.9n/an/an/an/a7.8n/a



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 US10040788 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238198
PNG
(CHEMBL4061000)
Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20-
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n/an/a 48n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...


J Med Chem 60: 5599-5612 (2017)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238194
PNG
(CHEMBL4080388)
Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2cccs2)n(c1-c1cccs1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C32H19N3O4S4/c36-29-26(42-31(38)33-29)15-18-5-7-19(8-6-18)20-9-11-22(12-10-20)35-23(24-3-1-13-40-24)16-21(28(35)25-4-2-14-41-25)17-27-30(37)34-32(39)43-27/h1-17H,(H,33,36,38)(H,34,37,39)/b26-15-,27-17-
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n/an/a 49n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 60: 5599-5612 (2017)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238194
PNG
(CHEMBL4080388)
Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2cccs2)n(c1-c1cccs1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1
Show InChI InChI=1S/C32H19N3O4S4/c36-29-26(42-31(38)33-29)15-18-5-7-19(8-6-18)20-9-11-22(12-10-20)35-23(24-3-1-13-40-24)16-21(28(35)25-4-2-14-41-25)17-27-30(37)34-32(39)43-27/h1-17H,(H,33,36,38)(H,34,37,39)/b26-15-,27-17-
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n/an/a 50n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...


J Med Chem 60: 5599-5612 (2017)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150111
PNG
(CHEMBL3771020)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CC[C@@H](C2)Nc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H26N8O2S2/c34-20(13-16-7-3-1-4-8-16)28-24-32-30-22(36-24)26-18-11-12-19(15-18)27-23-31-33-25(37-23)29-21(35)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,26,30)(H,27,31)(H,28,32,34)(H,29,33,35)/t18-,19-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
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