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PubMed code 28174105

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM109086
PNG
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US8604016,...)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232186
PNG
(CHEMBL4092049)
Show SMILES C[C@@H]([C@H]1C[C@H](OC(C)=O)[C@H]2[C@@H]3C[C@@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1
Show InChI InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23-,24+,25+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 9.89E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232181
PNG
(CHEMBL4100547)
Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1C[C@](C)(O)[C@](C)(O)C(=O)O1
Show InChI InChI=1S/C40H64O16/c1-17(24-14-38(3,50)40(5,51)36(49)56-24)21-8-9-22-20-7-6-18-12-19(13-27(42)39(18,4)23(20)10-11-37(21,22)2)53-35-33(48)31(46)29(44)26(55-35)16-52-34-32(47)30(45)28(43)25(15-41)54-34/h6,17,19-35,41-48,50-51H,7-16H2,1-5H3/t17-,19+,20-,21+,22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,37+,38-,39-,40+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232187
PNG
(CHEMBL4075531)
Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1C[C@@](C)(O)[C@](C)(O)C(O)O1
Show InChI InChI=1S/C40H66O16/c1-17(24-14-38(3,50)40(5,51)36(49)56-24)21-8-9-22-20-7-6-18-12-19(13-27(42)39(18,4)23(20)10-11-37(21,22)2)53-35-33(48)31(46)29(44)26(55-35)16-52-34-32(47)30(45)28(43)25(15-41)54-34/h6,17,19-36,41-51H,7-16H2,1-5H3/t17-,19+,20-,21+,22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,36?,37+,38+,39-,40+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232185
PNG
(CHEMBL4073733)
Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@](C)(O)[C@](C)(O)C(=O)O1
Show InChI InChI=1S/C28H44O6/c1-15(22-14-26(3,32)28(5,33)24(31)34-22)19-8-9-20-18-7-6-16-12-17(29)13-23(30)27(16,4)21(18)10-11-25(19,20)2/h6,15,17-23,29-30,32-33H,7-14H2,1-5H3/t15-,17+,18-,19+,20-,21-,22+,23-,25+,26-,27-,28+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232189
PNG
(CHEMBL4064324)
Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@](C)(O)[C@](C)(O)C(O)O1
Show InChI InChI=1S/C28H46O6/c1-15(22-14-26(3,32)28(5,33)24(31)34-22)19-8-9-20-18-7-6-16-12-17(29)13-23(30)27(16,4)21(18)10-11-25(19,20)2/h6,15,17-24,29-33H,7-14H2,1-5H3/t15-,17+,18-,19+,20-,21-,22+,23-,24?,25+,26+,27-,28+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232180
PNG
(CHEMBL4084095)
Show SMILES CO[C@@H]1O[C@H](C[C@](C)(OC)[C@]1(C)O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C42H70O16/c1-19(26-16-40(3,53-7)42(5,51)38(52-6)58-26)23-10-11-24-22-9-8-20-14-21(15-29(44)41(20,4)25(22)12-13-39(23,24)2)55-37-35(50)33(48)31(46)28(57-37)18-54-36-34(49)32(47)30(45)27(17-43)56-36/h8,19,21-38,43-51H,9-18H2,1-7H3/t19-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant KGA (unknown origin) using glutamine as substrate


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50232186
PNG
(CHEMBL4092049)
Show SMILES C[C@@H]([C@H]1C[C@H](OC(C)=O)[C@H]2[C@@H]3C[C@@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1
Show InChI InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23-,24+,25+,26+,27-,28-,29+,30+/m0/s1
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n/an/an/a 4.95E+3n/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to NT-647-NHS-labelled KGA (unknown origin) after 10 mins by microscale thermophoresis method


Bioorg Med Chem Lett 27: 1243-1246 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.057
BindingDB Entry DOI: 10.7270/Q2639S0F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%