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PubMed code 31603674

Compile data set for download or QSAR
Found 48 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))
BDBM50509188
PNG
(CHEMBL4566446)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H32N10O2S/c1-21-9-11-22(12-10-21)19-40-20-25(35-39-40)14-16-27(41)32-26-15-13-23(34-36-26)6-2-3-8-29-37-38-30(43-29)33-28(42)18-24-7-4-5-17-31-24/h4-5,7,9-13,15,17,20H,2-3,6,8,14,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)
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n/an/a 27n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
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 30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 assessed as reduction in glutamate production in presence of NADPH-dependent glutamate dehydrogenase by coupled biochemical ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 38n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509188
PNG
(CHEMBL4566446)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H32N10O2S/c1-21-9-11-22(12-10-21)19-40-20-25(35-39-40)14-16-27(41)32-26-15-13-23(34-36-26)6-2-3-8-29-37-38-30(43-29)33-28(42)18-24-7-4-5-17-31-24/h4-5,7,9-13,15,17,20H,2-3,6,8,14,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509201
PNG
(CHEMBL4445509)
Show SMILES FC(F)(F)c1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H29F3N10O2S/c31-30(32,33)21-10-8-20(9-11-21)18-43-19-24(38-42-43)13-15-26(44)35-25-14-12-22(37-39-25)5-1-2-7-28-40-41-29(46-28)36-27(45)17-23-6-3-4-16-34-23/h3-4,6,8-12,14,16,19H,1-2,5,7,13,15,17-18H2,(H,35,39,44)(H,36,41,45)
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n/an/a 44n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509201
PNG
(CHEMBL4445509)
Show SMILES FC(F)(F)c1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H29F3N10O2S/c31-30(32,33)21-10-8-20(9-11-21)18-43-19-24(38-42-43)13-15-26(44)35-25-14-12-22(37-39-25)5-1-2-7-28-40-41-29(46-28)36-27(45)17-23-6-3-4-16-34-23/h3-4,6,8-12,14,16,19H,1-2,5,7,13,15,17-18H2,(H,35,39,44)(H,36,41,45)
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n/an/a 73n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509194
PNG
(CHEMBL4461569)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)c(C)c1
Show InChI InChI=1S/C31H34N10O2S/c1-21-10-11-23(22(2)17-21)19-41-20-26(36-40-41)13-15-28(42)33-27-14-12-24(35-37-27)7-3-4-9-30-38-39-31(44-30)34-29(43)18-25-8-5-6-16-32-25/h5-6,8,10-12,14,16-17,20H,3-4,7,9,13,15,18-19H2,1-2H3,(H,33,37,42)(H,34,39,43)
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n/an/a 110n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
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 110n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509200
PNG
(CHEMBL4554275)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H32N10O3S/c1-43-25-13-9-21(10-14-25)19-40-20-24(35-39-40)12-16-27(41)32-26-15-11-22(34-36-26)6-2-3-8-29-37-38-30(44-29)33-28(42)18-23-7-4-5-17-31-23/h4-5,7,9-11,13-15,17,20H,2-3,6,8,12,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)
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n/an/a 150n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509200
PNG
(CHEMBL4554275)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H32N10O3S/c1-43-25-13-9-21(10-14-25)19-40-20-24(35-39-40)12-16-27(41)32-26-15-11-22(34-36-26)6-2-3-8-29-37-38-30(44-29)33-28(42)18-23-7-4-5-17-31-23/h4-5,7,9-11,13-15,17,20H,2-3,6,8,12,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)
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n/an/a 190n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509194
PNG
(CHEMBL4461569)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)c(C)c1
Show InChI InChI=1S/C31H34N10O2S/c1-21-10-11-23(22(2)17-21)19-41-20-26(36-40-41)13-15-28(42)33-27-14-12-24(35-37-27)7-3-4-9-30-38-39-31(44-30)34-29(43)18-25-8-5-6-16-32-25/h5-6,8,10-12,14,16-17,20H,3-4,7,9,13,15,18-19H2,1-2H3,(H,33,37,42)(H,34,39,43)
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n/an/a 210n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509187
PNG
(CHEMBL4526354)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)c(C)c1
Show InChI InChI=1S/C30H33N9O2S2/c1-20-12-13-23(21(2)16-20)18-39-19-24(33-38-39)14-15-25(40)31-29-36-34-27(42-29)10-6-7-11-28-35-37-30(43-28)32-26(41)17-22-8-4-3-5-9-22/h3-5,8-9,12-13,16,19H,6-7,10-11,14-15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/a 280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509196
PNG
(CHEMBL4461687)
Show SMILES FC(F)(F)Oc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H29F3N10O3S/c31-30(32,33)46-24-12-8-20(9-13-24)18-43-19-23(38-42-43)11-15-26(44)35-25-14-10-21(37-39-25)5-1-2-7-28-40-41-29(47-28)36-27(45)17-22-6-3-4-16-34-22/h3-4,6,8-10,12-14,16,19H,1-2,5,7,11,15,17-18H2,(H,35,39,44)(H,36,41,45)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509195
PNG
(CHEMBL4527166)
Show SMILES Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)nn1
Show InChI InChI=1S/C31H34N10O2S/c1-21-8-7-9-22(2)26(21)20-41-19-25(36-40-41)14-16-28(42)33-27-15-13-23(35-37-27)10-3-4-12-30-38-39-31(44-30)34-29(43)18-24-11-5-6-17-32-24/h5-9,11,13,15,17,19H,3-4,10,12,14,16,18,20H2,1-2H3,(H,33,37,42)(H,34,39,43)
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n/an/a 320n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509202
PNG
(CHEMBL4447580)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1OC
Show InChI InChI=1S/C31H34N10O4S/c1-44-25-13-10-21(17-26(25)45-2)19-41-20-24(36-40-41)12-15-28(42)33-27-14-11-22(35-37-27)7-3-4-9-30-38-39-31(46-30)34-29(43)18-23-8-5-6-16-32-23/h5-6,8,10-11,13-14,16-17,20H,3-4,7,9,12,15,18-19H2,1-2H3,(H,33,37,42)(H,34,39,43)
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n/an/a 330n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509196
PNG
(CHEMBL4461687)
Show SMILES FC(F)(F)Oc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H29F3N10O3S/c31-30(32,33)46-24-12-8-20(9-13-24)18-43-19-23(38-42-43)11-15-26(44)35-25-14-10-21(37-39-25)5-1-2-7-28-40-41-29(47-28)36-27(45)17-22-6-3-4-16-34-22/h3-4,6,8-10,12-14,16,19H,1-2,5,7,11,15,17-18H2,(H,35,39,44)(H,36,41,45)
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n/an/a 390n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509202
PNG
(CHEMBL4447580)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1OC
Show InChI InChI=1S/C31H34N10O4S/c1-44-25-13-10-21(17-26(25)45-2)19-41-20-24(36-40-41)12-15-28(42)33-27-14-11-22(35-37-27)7-3-4-9-30-38-39-31(46-30)34-29(43)18-23-8-5-6-16-32-23/h5-6,8,10-11,13-14,16-17,20H,3-4,7,9,12,15,18-19H2,1-2H3,(H,33,37,42)(H,34,39,43)
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n/an/a 400n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509198
PNG
(CHEMBL4456304)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C29H31N9O2S2/c1-20-11-13-22(14-12-20)18-38-19-23(32-37-38)15-16-24(39)30-28-35-33-26(41-28)9-5-6-10-27-34-36-29(42-27)31-25(40)17-21-7-3-2-4-8-21/h2-4,7-8,11-14,19H,5-6,9-10,15-18H2,1H3,(H,30,35,39)(H,31,36,40)
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n/an/a 420n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509195
PNG
(CHEMBL4527166)
Show SMILES Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)nn1
Show InChI InChI=1S/C31H34N10O2S/c1-21-8-7-9-22(2)26(21)20-41-19-25(36-40-41)14-16-28(42)33-27-15-13-23(35-37-27)10-3-4-12-30-38-39-31(44-30)34-29(43)18-24-11-5-6-17-32-24/h5-9,11,13,15,17,19H,3-4,10,12,14,16,18,20H2,1-2H3,(H,33,37,42)(H,34,39,43)
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n/an/a 460n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509187
PNG
(CHEMBL4526354)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)c(C)c1
Show InChI InChI=1S/C30H33N9O2S2/c1-20-12-13-23(21(2)16-20)18-39-19-24(33-38-39)14-15-25(40)31-29-36-34-27(42-29)10-6-7-11-28-35-37-30(43-28)32-26(41)17-22-8-4-3-5-9-22/h3-5,8-9,12-13,16,19H,6-7,10-11,14-15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/a 500n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509185
PNG
(CHEMBL4435743)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1OC
Show InChI InChI=1S/C30H33N9O4S2/c1-42-23-14-12-21(16-24(23)43-2)18-39-19-22(33-38-39)13-15-25(40)31-29-36-34-27(44-29)10-6-7-11-28-35-37-30(45-28)32-26(41)17-20-8-4-3-5-9-20/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/a 500n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509186
PNG
(CHEMBL4436657)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C29H31N9O3S2/c1-41-23-14-11-21(12-15-23)18-38-19-22(32-37-38)13-16-24(39)30-28-35-33-26(42-28)9-5-6-10-27-34-36-29(43-27)31-25(40)17-20-7-3-2-4-8-20/h2-4,7-8,11-12,14-15,19H,5-6,9-10,13,16-18H2,1H3,(H,30,35,39)(H,31,36,40)
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n/an/a 510n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509199
PNG
(CHEMBL4450088)
Show SMILES Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)nn1
Show InChI InChI=1S/C30H33N9O2S2/c1-20-9-8-10-21(2)24(20)19-39-18-23(33-38-39)15-16-25(40)31-29-36-34-27(42-29)13-6-7-14-28-35-37-30(43-28)32-26(41)17-22-11-4-3-5-12-22/h3-5,8-12,18H,6-7,13-17,19H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/a 520n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509198
PNG
(CHEMBL4456304)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C29H31N9O2S2/c1-20-11-13-22(14-12-20)18-38-19-23(32-37-38)15-16-24(39)30-28-35-33-26(41-28)9-5-6-10-27-34-36-29(42-27)31-25(40)17-21-7-3-2-4-8-21/h2-4,7-8,11-14,19H,5-6,9-10,15-18H2,1H3,(H,30,35,39)(H,31,36,40)
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n/an/a 560n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509186
PNG
(CHEMBL4436657)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C29H31N9O3S2/c1-41-23-14-11-21(12-15-23)18-38-19-22(32-37-38)13-16-24(39)30-28-35-33-26(42-28)9-5-6-10-27-34-36-29(43-27)31-25(40)17-20-7-3-2-4-8-20/h2-4,7-8,11-12,14-15,19H,5-6,9-10,13,16-18H2,1H3,(H,30,35,39)(H,31,36,40)
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n/an/a 760n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509199
PNG
(CHEMBL4450088)
Show SMILES Cc1cccc(C)c1Cn1cc(CCC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)nn1
Show InChI InChI=1S/C30H33N9O2S2/c1-20-9-8-10-21(2)24(20)19-39-18-23(33-38-39)15-16-25(40)31-29-36-34-27(42-29)13-6-7-14-28-35-37-30(43-28)32-26(41)17-22-11-4-3-5-12-22/h3-5,8-12,18H,6-7,13-17,19H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/a 780n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509190
PNG
(CHEMBL4589700)
Show SMILES O=C(CCc1cn(Cc2ccc(cc2)C#N)nn1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C29H28N10O2S2/c30-17-21-10-12-22(13-11-21)18-39-19-23(33-38-39)14-15-24(40)31-28-36-34-26(42-28)8-4-5-9-27-35-37-29(43-27)32-25(41)16-20-6-2-1-3-7-20/h1-3,6-7,10-13,19H,4-5,8-9,14-16,18H2,(H,31,36,40)(H,32,37,41)
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n/an/a 840n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509185
PNG
(CHEMBL4435743)
Show SMILES COc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1OC
Show InChI InChI=1S/C30H33N9O4S2/c1-42-23-14-12-21(16-24(23)43-2)18-39-19-22(33-38-39)13-15-25(40)31-29-36-34-27(44-29)10-6-7-11-28-35-37-30(45-28)32-26(41)17-20-8-4-3-5-9-20/h3-5,8-9,12,14,16,19H,6-7,10-11,13,15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/a 850n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509189
PNG
(CHEMBL4566122)
Show SMILES O=C(CCc1cn(Cc2ccccc2)nn1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C28H29N9O2S2/c38-23(16-15-22-19-37(36-31-22)18-21-11-5-2-6-12-21)29-27-34-32-25(40-27)13-7-8-14-26-33-35-28(41-26)30-24(39)17-20-9-3-1-4-10-20/h1-6,9-12,19H,7-8,13-18H2,(H,29,34,38)(H,30,35,39)
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n/an/a 900n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509189
PNG
(CHEMBL4566122)
Show SMILES O=C(CCc1cn(Cc2ccccc2)nn1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C28H29N9O2S2/c38-23(16-15-22-19-37(36-31-22)18-21-11-5-2-6-12-21)29-27-34-32-25(40-27)13-7-8-14-26-33-35-28(41-26)30-24(39)17-20-9-3-1-4-10-20/h1-6,9-12,19H,7-8,13-18H2,(H,29,34,38)(H,30,35,39)
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n/an/a 920n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509190
PNG
(CHEMBL4589700)
Show SMILES O=C(CCc1cn(Cc2ccc(cc2)C#N)nn1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C29H28N10O2S2/c30-17-21-10-12-22(13-11-21)18-39-19-23(33-38-39)14-15-24(40)31-28-36-34-26(42-28)8-4-5-9-27-35-37-29(43-27)32-25(41)16-20-6-2-1-3-7-20/h1-3,6-7,10-13,19H,4-5,8-9,14-16,18H2,(H,31,36,40)(H,32,37,41)
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n/an/a 930n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509193
PNG
(CHEMBL4474044)
Show SMILES Brc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28BrN9O2S2/c29-21-12-10-20(11-13-21)17-38-18-22(32-37-38)14-15-23(39)30-27-35-33-25(41-27)8-4-5-9-26-34-36-28(42-26)31-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2,(H,30,35,39)(H,31,36,40)
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n/an/a 980n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509193
PNG
(CHEMBL4474044)
Show SMILES Brc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28BrN9O2S2/c29-21-12-10-20(11-13-21)17-38-18-22(32-37-38)14-15-23(39)30-27-35-33-25(41-27)8-4-5-9-26-34-36-28(42-26)31-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2,(H,30,35,39)(H,31,36,40)
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n/an/a 1.08E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509191
PNG
(CHEMBL4590293)
Show SMILES Fc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28FN9O2S2/c29-21-12-10-20(11-13-21)17-38-18-22(32-37-38)14-15-23(39)30-27-35-33-25(41-27)8-4-5-9-26-34-36-28(42-26)31-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2,(H,30,35,39)(H,31,36,40)
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n/an/a 1.11E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509191
PNG
(CHEMBL4590293)
Show SMILES Fc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28FN9O2S2/c29-21-12-10-20(11-13-21)17-38-18-22(32-37-38)14-15-23(39)30-27-35-33-25(41-27)8-4-5-9-26-34-36-28(42-26)31-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2,(H,30,35,39)(H,31,36,40)
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n/an/a 1.22E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509192
PNG
(CHEMBL4442699)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28ClN9O2S2/c29-21-12-10-20(11-13-21)17-38-18-22(32-37-38)14-15-23(39)30-27-35-33-25(41-27)8-4-5-9-26-34-36-28(42-26)31-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2,(H,30,35,39)(H,31,36,40)
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n/an/a 1.25E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509192
PNG
(CHEMBL4442699)
Show SMILES Clc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28ClN9O2S2/c29-21-12-10-20(11-13-21)17-38-18-22(32-37-38)14-15-23(39)30-27-35-33-25(41-27)8-4-5-9-26-34-36-28(42-26)31-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2,(H,30,35,39)(H,31,36,40)
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n/an/a 1.37E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509197
PNG
(CHEMBL4587974)
Show SMILES [O-][N+](=O)c1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28N10O4S2/c39-23(15-12-21-18-37(36-31-21)17-20-10-13-22(14-11-20)38(41)42)29-27-34-32-25(43-27)8-4-5-9-26-33-35-28(44-26)30-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-17H2,(H,29,34,39)(H,30,35,40)
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n/an/a 2.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509197
PNG
(CHEMBL4587974)
Show SMILES [O-][N+](=O)c1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)cc1
Show InChI InChI=1S/C28H28N10O4S2/c39-23(15-12-21-18-37(36-31-21)17-20-10-13-22(14-11-20)38(41)42)29-27-34-32-25(43-27)8-4-5-9-26-33-35-28(44-26)30-24(40)16-19-6-2-1-3-7-19/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-17H2,(H,29,34,39)(H,30,35,40)
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n/an/a 2.75E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
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 2.90E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Rattus norvegicus)
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 3.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney type GLS1


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
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 3.69E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after ...


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509188
PNG
(CHEMBL4566446)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccn5)s4)nn3)nn2)cc1
Show InChI InChI=1S/C30H32N10O2S/c1-21-9-11-22(12-10-21)19-40-20-25(35-39-40)14-16-27(41)32-26-15-13-23(34-36-26)6-2-3-8-29-37-38-30(43-29)33-28(42)18-24-7-4-5-17-31-24/h4-5,7,9-13,15,17,20H,2-3,6,8,14,16,18-19H2,1H3,(H,32,36,41)(H,33,38,42)
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n/an/an/a 68n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509184
PNG
(CHEMBL4593229)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccc(NC(=S)NCCNC(=O)CCCC(=O)Nc4ccc(CCCCc5nnc(NC(=O)Cc6ccccn6)s5)nn4)cc23)c1
Show InChI InChI=1S/C45H42N10O8S2/c56-29-13-16-32-35(24-29)62-36-25-30(57)14-17-33(36)45(32)34-22-28(11-15-31(34)42(61)63-45)49-43(64)48-21-20-47-38(58)8-5-9-39(59)50-37-18-12-26(52-53-37)6-1-2-10-41-54-55-44(65-41)51-40(60)23-27-7-3-4-19-46-27/h3-4,7,11-19,22,24-25,56-57H,1-2,5-6,8-10,20-21,23H2,(H,47,58)(H2,48,49,64)(H,50,53,59)(H,51,55,60)
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n/an/an/a 450n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by fluorescence polarization binding assay


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509184
PNG
(CHEMBL4593229)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccc(NC(=S)NCCNC(=O)CCCC(=O)Nc4ccc(CCCCc5nnc(NC(=O)Cc6ccccn6)s5)nn4)cc23)c1
Show InChI InChI=1S/C45H42N10O8S2/c56-29-13-16-32-35(24-29)62-36-25-30(57)14-17-33(36)45(32)34-22-28(11-15-31(34)42(61)63-45)49-43(64)48-21-20-47-38(58)8-5-9-39(59)50-37-18-12-26(52-53-37)6-1-2-10-41-54-55-44(65-41)51-40(60)23-27-7-3-4-19-46-27/h3-4,7,11-19,22,24-25,56-57H,1-2,5-6,8-10,20-21,23H2,(H,47,58)(H2,48,49,64)(H,50,53,59)(H,51,55,60)
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n/an/an/a 610n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
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/an/a 4.30E+3n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50509187
PNG
(CHEMBL4526354)
Show SMILES Cc1ccc(Cn2cc(CCC(=O)Nc3nnc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)s3)nn2)c(C)c1
Show InChI InChI=1S/C30H33N9O2S2/c1-20-12-13-23(21(2)16-20)18-39-19-24(33-38-39)14-15-25(40)31-29-36-34-27(42-29)10-6-7-11-28-35-37-30(43-28)32-26(41)17-22-8-4-3-5-9-22/h3-5,8-9,12-13,16,19H,6-7,10-11,14-15,17-18H2,1-2H3,(H,31,36,40)(H,32,37,41)
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n/an/an/a 350n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
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/an/a 92n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay


J Med Chem 62: 9642-9657 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%