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PubMed code 26985303

Compile data set for download or QSAR
Found 12 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)
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)
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)
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)
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)
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)
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)
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)
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)
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 63n/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)
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 71n/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)
BDBM50172240
PNG
(CHEMBL3808882 | US10040788, Example 17(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN8O2S/c1-29-14(11-2-4-12(19)5-3-11)15(28)23-18-26-25-17(30-18)22-13-6-9-27(10-13)16-20-7-8-21-24-16/h2-5,7-8,13-14H,6,9-10H2,1H3,(H,22,25)(H,23,26,28)/t13-,14+/m1/s1
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n/an/a 175n/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)
BDBM50172240
PNG
(CHEMBL3808882 | US10040788, Example 17(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN8O2S/c1-29-14(11-2-4-12(19)5-3-11)15(28)23-18-26-25-17(30-18)22-13-6-9-27(10-13)16-20-7-8-21-24-16/h2-5,7-8,13-14H,6,9-10H2,1H3,(H,22,25)(H,23,26,28)/t13-,14+/m1/s1
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n/an/a 2.19E+3n/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
* indicates data uncertainty>20%