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Patent code US10344025

Compile Data Set for Download or QSAR

Found 605 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))
BDBM405064
PNG
(1-[2-fluoro-4-(4-{2-[3- (trifluoromethoxy)phenyl]a...)
Show SMILES FC(CCn1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)Cn1cc(nn1)C(=O)NCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H23F7N8O4/c27-18(13-41-14-21(36-38-41)24(43)34-12-17-4-2-6-20(10-17)45-26(31,32)33)7-8-40-15-22(37-39-40)35-23(42)11-16-3-1-5-19(9-16)44-25(28,29)30/h1-6,9-10,14-15,18H,7-8,11-13H2,(H,34,43)(H,35,42)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405075
PNG
(1-(2-fluoro-4-{4-[2-(pyridin-2- yl)acetamido]-1H-1...)
Show SMILES FC(CCn1cc(NC(=O)Cc2ccccn2)nn1)Cn1cc(nn1)C(=O)NCc1cc(OC(F)(F)F)ccc1F
Show InChI InChI=1S/C24H22F5N9O3/c25-16(6-8-37-14-21(34-36-37)32-22(39)10-17-3-1-2-7-30-17)12-38-13-20(33-35-38)23(40)31-11-15-9-18(4-5-19(15)26)41-24(27,28)29/h1-5,7,9,13-14,16H,6,8,10-12H2,(H,31,40)(H,32,39)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405091
PNG
(1-{2-fluoro-4-[4-({[3- (trifluoromethoxy)phenyl]me...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1cccc(OC(F)(F)F)c1)Cn1cc(nn1)C(=O)NCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F7N9O3/c26-17(12-41-14-20(37-39-41)23(43)35-11-16-4-5-21(33-10-16)24(27,28)29)6-7-40-13-19(36-38-40)22(42)34-9-15-2-1-3-18(8-15)44-25(30,31)32/h1-5,8,10,13-14,17H,6-7,9,11-12H2,(H,34,42)(H,35,43)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405095
PNG
(1-{3-fluoro-4-[4-({[3- (trifluoromethoxy)phenyl]me...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1cc(ccn1)C(F)(F)F)Cn1cc(nn1)C(=O)NCc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H22F7N9O3/c26-17(5-7-40-13-20(36-38-40)23(43)35-11-18-9-16(4-6-33-18)24(27,28)29)12-41-14-21(37-39-41)22(42)34-10-15-2-1-3-19(8-15)44-25(30,31)32/h1-4,6,8-9,13-14,17H,5,7,10-12H2,(H,34,42)(H,35,43)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405098
PNG
(5-{3-fluoro-4-[4-({[3- (trifluoromethoxy)phenyl]me...)
Show SMILES Cc1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(nn3)C(=O)NCc3cccc(OC(F)(F)F)c3)s2)cn1
Show InChI InChI=1S/C25H24F4N8O3S/c1-15-5-6-17(11-30-15)12-32-23(39)24-35-34-21(41-24)8-7-18(26)13-37-14-20(33-36-37)22(38)31-10-16-3-2-4-19(9-16)40-25(27,28)29/h2-6,9,11,14,18H,7-8,10,12-13H2,1H3,(H,31,38)(H,32,39)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405101
PNG
(5-{3-fluoro-4-[4-({[5- (trifluoromethyl)pyridin-2-...)
Show SMILES FC(CCc1nnc(s1)C(=O)NCc1cccc(OC(F)(F)F)c1)Cn1cc(nn1)C(=O)NCc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C25H21F7N8O3S/c26-16(12-40-13-19(36-39-40)21(41)35-11-17-6-4-15(10-33-17)24(27,28)29)5-7-20-37-38-23(44-20)22(42)34-9-14-2-1-3-18(8-14)43-25(30,31)32/h1-4,6,8,10,13,16H,5,7,9,11-12H2,(H,34,42)(H,35,41)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405104
PNG
(5-{3-fluoro-4-[4-({[5- (trifluoromethyl)pyridin-2-...)
Show SMILES FC(CCc1nnc(s1)C(=O)NCc1cc(OC(F)(F)F)ccc1F)Cn1cc(nn1)C(=O)NCc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C25H20F8N8O3S/c26-15(11-41-12-19(37-40-41)21(42)36-10-16-3-1-14(9-34-16)24(28,29)30)2-6-20-38-39-23(45-20)22(43)35-8-13-7-17(4-5-18(13)27)44-25(31,32)33/h1,3-5,7,9,12,15H,2,6,8,10-11H2,(H,35,43)(H,36,42)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405130
PNG
(1-{2-fluoro-4-[4-({[6- (trifluoromethyl)pyridin-2-...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1cccc(n1)C(F)(F)F)Cn1cc(nn1)C(=O)NCc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C24H21F7N10O2/c25-15(11-41-13-19(37-39-41)22(43)34-10-17-8-14(4-6-32-17)23(26,27)28)5-7-40-12-18(36-38-40)21(42)33-9-16-2-1-3-20(35-16)24(29,30)31/h1-4,6,8,12-13,15H,5,7,9-11H2,(H,33,42)(H,34,43)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405133
PNG
(1-{2-fluoro-4-[4-({[3- (trifluoromethoxy)phenyl]me...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1cccc(OC(F)(F)F)c1)Cn1cc(nn1)C(=O)NCc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F7N9O3/c26-18(12-41-14-21(37-39-41)23(43)35-10-16-6-17(11-33-8-16)24(27,28)29)4-5-40-13-20(36-38-40)22(42)34-9-15-2-1-3-19(7-15)44-25(30,31)32/h1-3,6-8,11,13-14,18H,4-5,9-10,12H2,(H,34,42)(H,35,43)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405140
PNG
(5-{3-fluoro-4-[4-({[3- (trifluoromethyl)phenyl]met...)
Show SMILES FC(CCc1nnc(s1)C(=O)NCc1cncc(c1)C(F)(F)F)Cn1cc(nn1)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F7N8O2S/c26-18(12-40-13-19(36-39-40)21(41)34-9-14-2-1-3-16(6-14)24(27,28)29)4-5-20-37-38-23(43-20)22(42)35-10-15-7-17(11-33-8-15)25(30,31)32/h1-3,6-8,11,13,18H,4-5,9-10,12H2,(H,34,41)(H,35,42)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405181
PNG
(1-[3-fluoro-4-(4-{2-[2-fluoro-5- (trifluoromethoxy...)
Show SMILES CNC(=O)c1cn(CCC(F)Cn2cc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1
Show InChI InChI=1S/C19H19F5N8O3/c1-25-18(34)15-9-31(29-27-15)5-4-12(20)8-32-10-16(28-30-32)26-17(33)7-11-6-13(2-3-14(11)21)35-19(22,23)24/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,34)(H,26,33)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405199
PNG
(1-(4-{6-[2-(3- methanesulfonylphenyl)acetamido] py...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(c3)S(C)(=O)=O)nn2)nn1
Show InChI InChI=1S/C21H25N7O4S/c1-22-21(30)18-14-28(27-25-18)11-4-3-7-16-9-10-19(26-24-16)23-20(29)13-15-6-5-8-17(12-15)33(2,31)32/h5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,22,30)(H,23,26,29)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405201
PNG
(N-methyl-1-[4-(6-{2-[3-(pyridin-2- yl)phenyl]aceta...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(c3)-c3ccccn3)nn2)nn1
Show InChI InChI=1S/C25H26N8O2/c1-26-25(35)22-17-33(32-30-22)14-5-3-9-20-11-12-23(31-29-20)28-24(34)16-18-7-6-8-19(15-18)21-10-2-4-13-27-21/h2,4,6-8,10-13,15,17H,3,5,9,14,16H2,1H3,(H,26,35)(H,28,31,34)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405207
PNG
(N-(2-methoxyethyl)-1-[4-(6-{2-[3- (trifluoromethox...)
Show SMILES COCCNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1
Show InChI InChI=1S/C23H26F3N7O4/c1-36-12-10-27-22(35)19-15-33(32-30-19)11-3-2-6-17-8-9-20(31-29-17)28-21(34)14-16-5-4-7-18(13-16)37-23(24,25)26/h4-5,7-9,13,15H,2-3,6,10-12,14H2,1H3,(H,27,35)(H,28,31,34)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405222
PNG
(1-(4-(5-acetamido-1,3,4-thiadiazo1-2- yl)-2-fluoro...)
Show SMILES CC(=O)Nc1nnc(CCC(F)Cn2cc(nn2)C(=O)NCc2cccc(OC(F)(F)F)c2)s1
Show InChI InChI=1S/C19H19F4N7O3S/c1-11(31)25-18-28-27-16(34-18)6-5-13(20)9-30-10-15(26-29-30)17(32)24-8-12-3-2-4-14(7-12)33-19(21,22)23/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,24,32)(H,25,28,31)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405236
PNG
(1-(4-(5-(2-(4-cyclopropylpyridin-2- yl)acetamido)-...)
Show SMILES FC(CCc1nnc(NC(=O)Cc2cc(ccn2)C2CC2)s1)Cn1cc(nn1)C(=O)NCc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N9O2S/c27-19(13-39-14-21(35-38-39)24(41)33-11-15-7-18(12-31-10-15)26(28,29)30)3-4-23-36-37-25(42-23)34-22(40)9-20-8-17(5-6-32-20)16-1-2-16/h5-8,10,12,14,16,19H,1-4,9,11,13H2,(H,33,41)(H,34,37,40)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405246
PNG
(N-(2-fluoro-5- (trifluoromethoxy)benzyl)-1-(4-(6-(...)
Show SMILES Fc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccncc3)nn2)nn1
Show InChI InChI=1S/C26H24F4N8O3/c27-21-6-5-20(41-26(28,29)30)14-18(21)15-32-25(40)22-16-38(37-35-22)12-2-1-3-19-4-7-23(36-34-19)33-24(39)13-17-8-10-31-11-9-17/h4-11,14,16H,1-3,12-13,15H2,(H,32,40)(H,33,36,39)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405250
PNG
(N-(5-(3-fluoro-4-(4-((2-fluoro-5- (trifluoromethox...)
Show SMILES FC(CCc1nnc(NC(=O)c2ccncc2)s1)Cn1cc(nn1)C(=O)NCc1cc(OC(F)(F)F)ccc1F
Show InChI InChI=1S/C23H19F5N8O3S/c24-15(1-4-19-33-34-22(40-19)31-20(37)13-5-7-29-8-6-13)11-36-12-18(32-35-36)21(38)30-10-14-9-16(2-3-17(14)25)39-23(26,27)28/h2-3,5-9,12,15H,1,4,10-11H2,(H,30,38)(H,31,34,37)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405253
PNG
(5-(4-(6-(2-(2-fluoro-5- (trifluoromethoxy)phenyl)a...)
Show SMILES OCCNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)s1
Show InChI InChI=1S/C22H22F4N6O4S/c23-16-7-6-15(36-22(24,25)26)11-13(16)12-18(34)28-17-8-5-14(29-30-17)3-1-2-4-19-31-32-21(37-19)20(35)27-9-10-33/h5-8,11,33H,1-4,9-10,12H2,(H,27,35)(H,28,30,34)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405258
PNG
(5-(4-(6-acetamidopyridazin-3-yl) butyl)-N-((5-(tri...)
Show SMILES CC(=O)Nc1ccc(CCCCc2nnc(s2)C(=O)NCc2cncc(c2)C(F)(F)F)nn1
Show InChI InChI=1S/C20H20F3N7O2S/c1-12(31)26-16-7-6-15(27-28-16)4-2-3-5-17-29-30-19(33-17)18(32)25-10-13-8-14(11-24-9-13)20(21,22)23/h6-9,11H,2-5,10H2,1H3,(H,25,32)(H,26,28,31)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404663
PNG
(US10344025, Example 2)
Show SMILES CNC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1
Show InChI InChI=1S/C19H20F3N7O3S/c1-23-17(31)14-11-29(28-25-14)8-3-2-7-16-26-27-18(33-16)24-15(30)10-12-5-4-6-13(9-12)32-19(20,21)22/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,23,31)(H,24,27,30)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404676
PNG
(N-benzyl-1-{4-[5-(2- phenylacetamido)-1,3,4- thiad...)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCn2cc(nn2)C(=O)NCc2ccccc2)s1
Show InChI InChI=1S/C24H25N7O2S/c32-21(15-18-9-3-1-4-10-18)26-24-29-28-22(34-24)13-7-8-14-31-17-20(27-30-31)23(33)25-16-19-11-5-2-6-12-19/h1-6,9-12,17H,7-8,13-16H2,(H,25,33)(H,26,29,32)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404680
PNG
(N-(pyridin-2-ylmethyl)-1-[4- (5-{2-[3-(trifluorome...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(CCCCn3cc(nn3)C(=O)NCc3ccccn3)s2)c1
Show InChI InChI=1S/C24H23F3N8O3S/c25-24(26,27)38-18-8-5-6-16(12-18)13-20(36)30-23-33-32-21(39-23)9-2-4-11-35-15-19(31-34-35)22(37)29-14-17-7-1-3-10-28-17/h1,3,5-8,10,12,15H,2,4,9,11,13-14H2,(H,29,37)(H,30,33,36)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404684
PNG
(N-[(1S)-2-hydroxy-1- phenylethyl]-1-[4-(5-{2-[3- (...)
Show SMILES OC[C@@H](NC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1)c1ccccc1
Show InChI InChI=1S/C26H26F3N7O4S/c27-26(28,29)40-19-10-6-7-17(13-19)14-22(38)31-25-34-33-23(41-25)11-4-5-12-36-15-20(32-35-36)24(39)30-21(16-37)18-8-2-1-3-9-18/h1-3,6-10,13,15,21,37H,4-5,11-12,14,16H2,(H,30,39)(H,31,34,38)/t21-/m1/s1
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404689
PNG
(N-benzyl-5-{4-[6-(2- phenylacetamido)pyridazin-3- ...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(s2)C(=O)NCc2ccccc2)nn1
Show InChI InChI=1S/C26H26N6O2S/c33-23(17-19-9-3-1-4-10-19)28-22-16-15-21(29-30-22)13-7-8-14-24-31-32-26(35-24)25(34)27-18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,34)(H,28,30,33)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404694
PNG
(N-(oxetan-3-ylmethyl)-5-[4-(6- {2-[3-(trifluoromet...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(s3)C(=O)NCC3COC3)nn2)c1
Show InChI InChI=1S/C24H25F3N6O4S/c25-24(26,27)37-18-6-3-4-15(10-18)11-20(34)29-19-9-8-17(30-31-19)5-1-2-7-21-32-33-23(38-21)22(35)28-12-16-13-36-14-16/h3-4,6,8-10,16H,1-2,5,7,11-14H2,(H,28,35)(H,29,31,34)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404703
PNG
(N-(pyridin-2-ylmethyl)-5- {4-[4-({[3-(trifluoromet...)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3nnc(s3)C(=O)NCc3ccccn3)nn2)c1
Show InChI InChI=1S/C24H23F3N8O3S/c25-24(26,27)38-18-8-5-6-16(12-18)13-29-21(36)19-15-35(34-31-19)11-4-2-9-20-32-33-23(39-20)22(37)30-14-17-7-1-3-10-28-17/h1,3,5-8,10,12,15H,2,4,9,11,13-14H2,(H,29,36)(H,30,37)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404721
PNG
(5-(4-{4-[(pyridin-2- ylmethyl)carbamoyl]-1H- 1,2,3...)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2nnc(CCCCn3cc(nn3)C(=O)NCc3ccccn3)s2)c1
Show InChI InChI=1S/C24H23F3N8O3S/c25-24(26,27)38-18-8-5-6-16(12-18)13-29-22(37)23-33-32-20(39-23)9-2-4-11-35-15-19(31-34-35)21(36)30-14-17-7-1-3-10-28-17/h1,3,5-8,10,12,15H,2,4,9,11,13-14H2,(H,29,37)(H,30,36)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404732
PNG
(5-{4-[4-({[3- (trifluoromethoxy)phenyl]methyl} car...)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3nnc(s3)C(=O)NCc3cncc(c3)C(F)(F)F)nn2)c1
Show InChI InChI=1S/C25H22F6N8O3S/c26-24(27,28)17-8-16(10-32-13-17)12-34-22(41)23-37-36-20(43-23)6-1-2-7-39-14-19(35-38-39)21(40)33-11-15-4-3-5-18(9-15)42-25(29,30)31/h3-5,8-10,13-14H,1-2,6-7,11-12H2,(H,33,40)(H,34,41)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404753
PNG
(1-{4-[4-({[3- (trifluoromethyl)phenyl]methyl} carb...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2cn(CCCCn3cc(nn3)C(=O)NCc3cc(ccn3)C(F)(F)F)nn2)c1
Show InChI InChI=1S/C25H23F6N9O2/c26-24(27,28)17-5-3-4-16(10-17)12-33-22(41)20-14-39(37-35-20)8-1-2-9-40-15-21(36-38-40)23(42)34-13-19-11-18(6-7-32-19)25(29,30)31/h3-7,10-11,14-15H,1-2,8-9,12-13H2,(H,33,41)(H,34,42)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404765
PNG
(1-{4-[4-({1-[3- (trifluoromethoxy)phenyl]ethyl} ca...)
Show SMILES CC(NC(=O)c1cn(CCCCn2cc(nn2)C(=O)NCc2cc(ccn2)C(F)(F)F)nn1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H25F6N9O3/c1-16(17-5-4-6-20(11-17)44-26(30,31)32)35-24(43)22-15-41(39-37-22)10-3-2-9-40-14-21(36-38-40)23(42)34-13-19-12-18(7-8-33-19)25(27,28)29/h4-8,11-12,14-16H,2-3,9-10,13H2,1H3,(H,34,42)(H,35,43)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404781
PNG
(1-{4-[4-({[3-(2- methoxyethoxy)phenyl]methyl} carb...)
Show SMILES COCCOc1cccc(CNC(=O)c2cn(CCCCn3cc(nn3)C(=O)NCc3cc(ccn3)C(F)(F)F)nn2)c1
Show InChI InChI=1S/C27H30F3N9O4/c1-42-11-12-43-22-6-4-5-19(13-22)15-32-25(40)23-17-38(36-34-23)9-2-3-10-39-18-24(35-37-39)26(41)33-16-21-14-20(7-8-31-21)27(28,29)30/h4-8,13-14,17-18H,2-3,9-12,15-16H2,1H3,(H,32,40)(H,33,41)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404801
PNG
(1-{3-fluoro-4-[4-({[5- (trifluoromethyl)pyridin-3-...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1cc(ccn1)C(F)(F)F)Cn1cc(nn1)C(=O)NCc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C24H21F7N10O2/c25-17(11-41-13-20(37-39-41)21(42)34-8-14-5-16(9-32-7-14)24(29,30)31)2-4-40-12-19(36-38-40)22(43)35-10-18-6-15(1-3-33-18)23(26,27)28/h1,3,5-7,9,12-13,17H,2,4,8,10-11H2,(H,34,42)(H,35,43)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404817
PNG
(N-methyl-1-{4-[6-(2- phenylacetamido)pyridazin-3- ...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1
Show InChI InChI=1S/C20H23N7O2/c1-21-20(29)17-14-27(26-24-17)12-6-5-9-16-10-11-18(25-23-16)22-19(28)13-15-7-3-2-4-8-15/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,21,29)(H,22,25,28)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404823
PNG
(N-methyl-1-(4-{6-[2-(pyridin-2- yl)acetamido]pyrid...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1
Show InChI InChI=1S/C19H22N8O2/c1-20-19(29)16-13-27(26-24-16)11-5-3-6-14-8-9-17(25-23-14)22-18(28)12-15-7-2-4-10-21-15/h2,4,7-10,13H,3,5-6,11-12H2,1H3,(H,20,29)(H,22,25,28)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404824
PNG
(N-(cyanomethyl)-1-{3-fluoro-4-[4- ({[2-fluoro-5- (...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCC#N)Cn1cc(nn1)C(=O)NCc1cc(OC(F)(F)F)ccc1F
Show InChI InChI=1S/C20H18F5N9O3/c21-13(3-6-33-10-16(29-31-33)18(35)27-5-4-26)9-34-11-17(30-32-34)19(36)28-8-12-7-14(1-2-15(12)22)37-20(23,24)25/h1-2,7,10-11,13H,3,5-6,8-9H2,(H,27,35)(H,28,36)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404860
PNG
(1-(2-fluoro-4-(5-(2-(2-fluoro-5- (trifluoromethoxy...)
Show SMILES FC(CCc1nnc(NC(=O)Cc2cc(OC(F)(F)F)ccc2F)s1)Cn1cc(nn1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C24H21F5N8O3S/c25-15(12-37-13-19(33-36-37)22(39)31-11-16-3-1-2-8-30-16)4-7-21-34-35-23(41-21)32-20(38)10-14-9-17(5-6-18(14)26)40-24(27,28)29/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H,31,39)(H,32,35,38)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404861
PNG
(1-(2-fluoro-4-(5-(2-(2-fluoro-5- (trifluoromethoxy...)
Show SMILES COc1ccnc(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cc(OC(F)(F)F)ccc4F)s3)nn2)c1
Show InChI InChI=1S/C25H23F5N8O4S/c1-41-17-6-7-31-16(10-17)11-32-23(40)20-13-38(37-34-20)12-15(26)2-5-22-35-36-24(43-22)33-21(39)9-14-8-18(3-4-19(14)27)42-25(28,29)30/h3-4,6-8,10,13,15H,2,5,9,11-12H2,1H3,(H,32,40)(H,33,36,39)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404863
PNG
(N-methyl-1-(4-(6-(2-(4-(2- (trifluoromethoxy)pheny...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)[C@@H](C)c3cc(ccn3)-c3ccccc3OC(F)(F)F)nn2)nn1
Show InChI InChI=1S/C27H27F3N8O3/c1-17(21-15-18(12-13-32-21)20-8-3-4-9-23(20)41-27(28,29)30)25(39)33-24-11-10-19(34-36-24)7-5-6-14-38-16-22(35-37-38)26(40)31-2/h3-4,8-13,15-17H,5-7,14H2,1-2H3,(H,31,40)(H,33,36,39)/t17-/m0/s1
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404866
PNG
(N-methyl-1-(4-(6-(2-(4- (trifluoromethyl)pyridin-2...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1
Show InChI InChI=1S/C20H21F3N8O2/c1-24-19(33)16-12-31(30-28-16)9-3-2-4-14-5-6-17(29-27-14)26-18(32)11-15-10-13(7-8-25-15)20(21,22)23/h5-8,10,12H,2-4,9,11H2,1H3,(H,24,33)(H,26,29,32)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404884
PNG
(N-methyl-1-(4-(6-(2-(4-(3- (trifluoromethoxy)pheny...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(CC3)c3cccc(OC(F)(F)F)c3)nn2)nn1
Show InChI InChI=1S/C25H30F3N9O3/c1-29-24(39)21-16-37(34-32-21)10-3-2-5-18-8-9-22(33-31-18)30-23(38)17-35-11-13-36(14-12-35)19-6-4-7-20(15-19)40-25(26,27)28/h4,6-9,15-16H,2-3,5,10-14,17H2,1H3,(H,29,39)(H,30,33,38)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404888
PNG
(N-methyl-1-(4-(6-(2-(4-(4- (trifluoromethoxy)pheny...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(CC3)c3ccc(OC(F)(F)F)cc3)nn2)nn1
Show InChI InChI=1S/C25H30F3N9O3/c1-29-24(39)21-16-37(34-32-21)11-3-2-4-18-5-10-22(33-31-18)30-23(38)17-35-12-14-36(15-13-35)19-6-8-20(9-7-19)40-25(26,27)28/h5-10,16H,2-4,11-15,17H2,1H3,(H,29,39)(H,30,33,38)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404888
PNG
(N-methyl-1-(4-(6-(2-(4-(4- (trifluoromethoxy)pheny...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(CC3)c3ccc(OC(F)(F)F)cc3)nn2)nn1
Show InChI InChI=1S/C25H30F3N9O3/c1-29-24(39)21-16-37(34-32-21)11-3-2-4-18-5-10-22(33-31-18)30-23(38)17-35-12-14-36(15-13-35)19-6-8-20(9-7-19)40-25(26,27)28/h5-10,16H,2-4,11-15,17H2,1H3,(H,29,39)(H,30,33,38)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404890
PNG
(5-(3-fluoro-4-(4-((pyridin-2- ylmethyl)carbamoyl)-...)
Show SMILES FC(CCc1nnc(s1)C(=O)NCc1cc(ccn1)C(F)(F)F)Cn1cc(nn1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C23H21F4N9O2S/c24-15(12-36-13-18(32-35-36)20(37)30-10-16-3-1-2-7-28-16)4-5-19-33-34-22(39-19)21(38)31-11-17-9-14(6-8-29-17)23(25,26)27/h1-3,6-9,13,15H,4-5,10-12H2,(H,30,37)(H,31,38)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404905
PNG
(N-methyl-1-(4-(6-(2-(2-oxo-4-(2- (trifluoromethoxy...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(CC3=O)c3ccccc3OC(F)(F)F)nn2)nn1
Show InChI InChI=1S/C25H28F3N9O4/c1-29-24(40)18-14-37(34-32-18)11-5-4-6-17-9-10-21(33-31-17)30-22(38)15-36-13-12-35(16-23(36)39)19-7-2-3-8-20(19)41-25(26,27)28/h2-3,7-10,14H,4-6,11-13,15-16H2,1H3,(H,29,40)(H,30,33,38)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404908
PNG
(1-(4-(6-(2-(4-(3,3- difluorocyclobutoxy)pyridin-2-...)
Show SMILES CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1
Show InChI InChI=1S/C23H25F3N8O3/c1-27-22(36)19-13-34(33-31-19)12-14(24)2-3-15-4-5-20(32-30-15)29-21(35)9-16-8-17(6-7-28-16)37-18-10-23(25,26)11-18/h4-8,13-14,18H,2-3,9-12H2,1H3,(H,27,36)(H,29,32,35)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404915
PNG
((R)-1-(2-fluoro-4-(6-(2-(4- (trifluoromethyl)pyrid...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1
Show InChI InChI=1S/C20H20F4N8O2/c1-25-19(34)16-11-32(31-29-16)10-13(21)2-3-14-4-5-17(30-28-14)27-18(33)9-15-8-12(6-7-26-15)20(22,23)24/h4-8,11,13H,2-3,9-10H2,1H3,(H,25,34)(H,27,30,33)/t13-/m1/s1
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404922
PNG
(1-(2-fluoro-4-(6-(2-(4-((1,1,1- trifluoropropan-2-...)
Show SMILES CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(C)C(F)(F)F)ccn3)nn2)nn1
Show InChI InChI=1S/C22H24F4N8O3/c1-13(22(24,25)26)37-17-7-8-28-16(9-17)10-20(35)29-19-6-5-15(30-32-19)4-3-14(23)11-34-12-18(31-33-34)21(36)27-2/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,27,36)(H,29,32,35)
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404931
PNG
((R)-1-(4-(6-(2-(4-cyclopropylpyridin- 2-yl)acetami...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)C3CC3)nn2)nn1
Show InChI InChI=1S/C22H25FN8O2/c1-24-22(33)19-13-31(30-28-19)12-16(23)4-5-17-6-7-20(29-27-17)26-21(32)11-18-10-15(8-9-25-18)14-2-3-14/h6-10,13-14,16H,2-5,11-12H2,1H3,(H,24,33)(H,26,29,32)/t16-/m1/s1
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The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404950
PNG
(1-(4-{4-[2-(pyridin-3-yl)acetamido]- 1H-1,2,3-tria...)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)Cc4cccnc4)nn3)nn2)c1
Show InChI InChI=1S/C24H24F3N9O3/c25-24(26,27)39-19-7-3-5-17(11-19)14-29-23(38)20-15-35(33-31-20)9-1-2-10-36-16-21(32-34-36)30-22(37)12-18-6-4-8-28-13-18/h3-8,11,13,15-16H,1-2,9-10,12,14H2,(H,29,38)(H,30,37)
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n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%