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Compile Data Set for Download or QSAR

Found 2420 hits Enz. Inhib. hit(s) with Target = 'Glutaminase kidney isoform, mitochondrial'   
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))
BDBM108460
PNG
(CHEMBL2178393 | US8604016, 17 | US9938267, Cmpd ID...)
Show SMILES Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C16H18N6OS3/c17-15-21-19-13(25-15)6-8-24-9-7-14-20-22-16(26-14)18-12(23)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,17,21)(H,18,22,23)
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2.00E+3n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human kidney glutaminase (124 to 669) assessed as reduction of glutamine hydrolysis by double-reciprocal plot analysis


J Med Chem 55: 10551-63 (2012)


Article DOI: 10.1021/jm301191p
BindingDB Entry DOI: 10.7270/Q2VD70M7
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172241
PNG
(CHEMBL3810168 | US10294221, Example 22(a))
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-15(11-3-2-4-13(7-11)33-19(20,21)22)16(31)26-18-29-28-17(34-18)25-12-5-6-30(9-12)14-8-23-10-24-27-14/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H,25,28)(H,26,29,31)/t12-,15-/m1/s1
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n/an/a 0.206n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50172181
PNG
(CHEMBL3810394 | US10040788, Example 3 | US10294221...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1
Show InChI InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11 | US1029422...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1S/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/m1/s1
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n/an/a 0.401n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM108893
PNG
(US8604016, 473 | US9938267, Cmpd ID 473)
Show SMILES O=C(Cc1cccc(CC(=O)N2CCCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C32H35N7O3S/c40-28(20-23-9-2-1-3-10-23)33-27-16-15-26(35-36-27)13-4-5-14-30-37-38-32(43-30)34-29(41)21-24-11-8-12-25(19-24)22-31(42)39-17-6-7-18-39/h1-3,8-12,15-16,19H,4-7,13-14,17-18,20-22H2,(H,33,36,40)(H,34,38,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108895
PNG
(US8604016, 475 | US9938267, Cmpd ID 475)
Show SMILES Brc1ccc(nn1)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H30BrN9O3S/c33-26-15-14-25(38-39-26)31(45)34-20-23-10-6-9-22(17-23)19-29(44)36-32-42-41-30(46-32)12-5-4-11-24-13-16-27(40-37-24)35-28(43)18-21-7-2-1-3-8-21/h1-3,6-10,13-17H,4-5,11-12,18-20H2,(H,34,45)(H,35,40,43)(H,36,42,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM47230
PNG
(US8604016, 645 | US9938267, Cmpd ID 645)
Show SMILES CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C31H36N6O4S2/c1-2-3-18-43(40,41)22-25-13-9-12-24(19-25)21-28(38)32-27-17-16-26(34-35-27)14-7-8-15-30-36-37-31(42-30)33-29(39)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,2-3,7-8,14-15,18,20-22H2,1H3,(H,32,35,38)(H,33,37,39)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108852
PNG
(US8604016, 432 | US9938267, Cmpd ID 432)
Show SMILES O=C(Cc1cccc(CNC(=O)c2ccccc2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C34H33N7O3S/c42-30(21-24-10-3-1-4-11-24)36-29-19-18-28(38-39-29)16-7-8-17-32-40-41-34(45-32)37-31(43)22-25-12-9-13-26(20-25)23-35-33(44)27-14-5-2-6-15-27/h1-6,9-15,18-20H,7-8,16-17,21-23H2,(H,35,44)(H,36,39,42)(H,37,41,43)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108853
PNG
(US8604016, 433 | US9938267, Cmpd ID 433)
Show SMILES CC(C)CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-22(2)17-28(40)33-21-25-12-8-11-24(18-25)20-30(42)35-32-39-38-31(43-32)14-7-6-13-26-15-16-27(37-36-26)34-29(41)19-23-9-4-3-5-10-23/h3-5,8-12,15-16,18,22H,6-7,13-14,17,19-21H2,1-2H3,(H,33,40)(H,34,37,41)(H,35,39,42)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108855
PNG
(US8604016, 435 | US9938267, Cmpd ID 435)
Show SMILES O=C(Cc1ccccc1)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C35H35N7O3S/c43-31(21-25-10-3-1-4-11-25)36-24-28-15-9-14-27(20-28)23-33(45)38-35-42-41-34(46-35)17-8-7-16-29-18-19-30(40-39-29)37-32(44)22-26-12-5-2-6-13-26/h1-6,9-15,18-20H,7-8,16-17,21-24H2,(H,36,43)(H,37,40,44)(H,38,42,45)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108893
PNG
(US8604016, 473 | US9938267, Cmpd ID 473)
Show SMILES O=C(Cc1cccc(CC(=O)N2CCCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C32H35N7O3S/c40-28(20-23-9-2-1-3-10-23)33-27-16-15-26(35-36-27)13-4-5-14-30-37-38-32(43-30)34-29(41)21-24-11-8-12-25(19-24)22-31(42)39-17-6-7-18-39/h1-3,8-12,15-16,19H,4-7,13-14,17-18,20-22H2,(H,33,36,40)(H,34,38,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108853
PNG
(US8604016, 433 | US9938267, Cmpd ID 433)
Show SMILES CC(C)CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-22(2)17-28(40)33-21-25-12-8-11-24(18-25)20-30(42)35-32-39-38-31(43-32)14-7-6-13-26-15-16-27(37-36-26)34-29(41)19-23-9-4-3-5-10-23/h3-5,8-12,15-16,18,22H,6-7,13-14,17,19-21H2,1-2H3,(H,33,40)(H,34,37,41)(H,35,39,42)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108855
PNG
(US8604016, 435 | US9938267, Cmpd ID 435)
Show SMILES O=C(Cc1ccccc1)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C35H35N7O3S/c43-31(21-25-10-3-1-4-11-25)36-24-28-15-9-14-27(20-28)23-33(45)38-35-42-41-34(46-35)17-8-7-16-29-18-19-30(40-39-29)37-32(44)22-26-12-5-2-6-13-26/h1-6,9-15,18-20H,7-8,16-17,21-24H2,(H,36,43)(H,37,40,44)(H,38,42,45)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108787
PNG
(US8604016, 367 | US9938267, Cmpd ID 367)
Show SMILES CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C32H37N7O4S/c1-32(2,3)43-31(42)33-21-24-13-9-12-23(18-24)20-27(40)34-26-17-16-25(36-37-26)14-7-8-15-29-38-39-30(44-29)35-28(41)19-22-10-5-4-6-11-22/h4-6,9-13,16-18H,7-8,14-15,19-21H2,1-3H3,(H,33,42)(H,34,37,40)(H,35,39,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108895
PNG
(US8604016, 475 | US9938267, Cmpd ID 475)
Show SMILES Brc1ccc(nn1)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H30BrN9O3S/c33-26-15-14-25(38-39-26)31(45)34-20-23-10-6-9-22(17-23)19-29(44)36-32-42-41-30(46-32)12-5-4-11-24-13-16-27(40-37-24)35-28(43)18-21-7-2-1-3-8-21/h1-3,6-10,13-17H,4-5,11-12,18-20H2,(H,34,45)(H,35,40,43)(H,36,42,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108852
PNG
(US8604016, 432 | US9938267, Cmpd ID 432)
Show SMILES O=C(Cc1cccc(CNC(=O)c2ccccc2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C34H33N7O3S/c42-30(21-24-10-3-1-4-11-24)36-29-19-18-28(38-39-29)16-7-8-17-32-40-41-34(45-32)37-31(43)22-25-12-9-13-26(20-25)23-35-33(44)27-14-5-2-6-15-27/h1-6,9-15,18-20H,7-8,16-17,21-23H2,(H,35,44)(H,36,39,42)(H,37,41,43)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM47230
PNG
(US8604016, 645 | US9938267, Cmpd ID 645)
Show SMILES CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C31H36N6O4S2/c1-2-3-18-43(40,41)22-25-13-9-12-24(19-25)21-28(38)32-27-17-16-26(34-35-27)14-7-8-15-30-36-37-31(42-30)33-29(39)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,2-3,7-8,14-15,18,20-22H2,1H3,(H,32,35,38)(H,33,37,39)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108890
PNG
(US8604016, 470 | US9938267, Cmpd ID 470)
Show SMILES CC(C)CNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-22(2)21-33-28(40)19-24-11-8-12-25(17-24)20-30(42)35-32-39-38-31(43-32)14-7-6-13-26-15-16-27(37-36-26)34-29(41)18-23-9-4-3-5-10-23/h3-5,8-12,15-17,22H,6-7,13-14,18-21H2,1-2H3,(H,33,40)(H,34,37,41)(H,35,39,42)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108891
PNG
(US8604016, 471 | US9938267, Cmpd ID 471)
Show SMILES CC(C)(C)CNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C33H39N7O3S/c1-33(2,3)22-34-28(41)20-24-12-9-13-25(18-24)21-30(43)36-32-40-39-31(44-32)15-8-7-14-26-16-17-27(38-37-26)35-29(42)19-23-10-5-4-6-11-23/h4-6,9-13,16-18H,7-8,14-15,19-22H2,1-3H3,(H,34,41)(H,35,38,42)(H,36,40,43)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108894
PNG
(US8604016, 474 | US9938267, Cmpd ID 474)
Show SMILES FC1(F)CCN(CC1)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C33H35F2N7O3S/c34-33(35)15-17-42(18-16-33)31(45)22-25-10-6-9-24(19-25)21-29(44)37-32-41-40-30(46-32)12-5-4-11-26-13-14-27(39-38-26)36-28(43)20-23-7-2-1-3-8-23/h1-3,6-10,13-14,19H,4-5,11-12,15-18,20-22H2,(H,36,39,43)(H,37,41,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108802
PNG
(US8604016, 382 | US9938267, Cmpd ID 382)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-27(39)33-29-37-36-28(42-29)14-7-6-13-24-15-16-25(35-34-24)32-26(38)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108804
PNG
(US8604016, 384 | US9938267, Cmpd ID 384)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-26(38)32-25-16-15-24(34-35-25)13-6-7-14-28-36-37-29(42-28)33-27(39)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108864
PNG
(US8604016, 444 | US9938267, Cmpd ID 444)
Show SMILES CN(Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C36H37N7O3S/c1-43(35(46)24-27-13-6-3-7-14-27)25-29-16-10-15-28(21-29)23-33(45)38-36-42-41-34(47-36)18-9-8-17-30-19-20-31(40-39-30)37-32(44)22-26-11-4-2-5-12-26/h2-7,10-16,19-21H,8-9,17-18,22-25H2,1H3,(H,37,40,44)(H,38,42,45)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108871
PNG
(US8604016, 451 | US9938267, Cmpd ID 451)
Show SMILES CC(=O)Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C28H29N7O3S/c1-19(36)29-23-12-7-10-21(16-23)18-26(38)31-28-35-34-27(39-28)13-6-5-11-22-14-15-24(33-32-22)30-25(37)17-20-8-3-2-4-9-20/h2-4,7-10,12,14-16H,5-6,11,13,17-18H2,1H3,(H,29,36)(H,30,33,37)(H,31,35,38)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108873
PNG
(US8604016, 453 | US9938267, Cmpd ID 453)
Show SMILES CCNC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C30H34N8O3S/c1-2-31-29(41)32-20-23-12-8-11-22(17-23)19-27(40)34-30-38-37-28(42-30)14-7-6-13-24-15-16-25(36-35-24)33-26(39)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H2,31,32,41)(H,33,36,39)(H,34,38,40)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108875
PNG
(US8604016, 455 | US9938267, Cmpd ID 455)
Show SMILES O=C(Cc1cccc(CCNC(=O)c2ccccc2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C35H35N7O3S/c43-31(23-25-10-3-1-4-11-25)37-30-19-18-29(39-40-30)16-7-8-17-33-41-42-35(46-33)38-32(44)24-27-13-9-12-26(22-27)20-21-36-34(45)28-14-5-2-6-15-28/h1-6,9-15,18-19,22H,7-8,16-17,20-21,23-24H2,(H,36,45)(H,37,40,43)(H,38,42,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108876
PNG
(US8604016, 456 | US9938267, Cmpd ID 456)
Show SMILES CCOC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C30H32N6O4S/c1-2-40-29(39)20-23-12-8-11-22(17-23)19-27(38)32-30-36-35-28(41-30)14-7-6-13-24-15-16-25(34-33-24)31-26(37)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,34,37)(H,32,36,38)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108878
PNG
(US8604016, 458 | US9938267, Cmpd ID 458)
Show SMILES FC(F)(F)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C29H28F3N7O3S/c30-29(31,32)27(42)33-18-21-10-6-9-20(15-21)17-25(41)35-28-39-38-26(43-28)12-5-4-11-22-13-14-23(37-36-22)34-24(40)16-19-7-2-1-3-8-19/h1-3,6-10,13-15H,4-5,11-12,16-18H2,(H,33,42)(H,34,37,40)(H,35,39,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108903
PNG
(US8604016, 484 | US9938267, Cmpd ID 484)
Show SMILES CCCN(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-3-18-39(2)31(42)22-25-13-9-12-24(19-25)21-29(41)34-32-38-37-30(43-32)15-8-7-14-26-16-17-27(36-35-26)33-28(40)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,3,7-8,14-15,18,20-22H2,1-2H3,(H,33,36,40)(H,34,38,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108915
PNG
(US8604016, 496 | US9938267, Cmpd ID 496)
Show SMILES CCCCNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-2-3-18-33-28(40)21-24-12-9-13-25(19-24)22-30(42)35-32-39-38-31(43-32)15-8-7-14-26-16-17-27(37-36-26)34-29(41)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,2-3,7-8,14-15,18,20-22H2,1H3,(H,33,40)(H,34,37,41)(H,35,39,42)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108917
PNG
(US8604016, 498 | US9938267, Cmpd ID 498)
Show SMILES CC(C)N(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-22(2)39(3)31(42)21-25-13-9-12-24(18-25)20-29(41)34-32-38-37-30(43-32)15-8-7-14-26-16-17-27(36-35-26)33-28(40)19-23-10-5-4-6-11-23/h4-6,9-13,16-18,22H,7-8,14-15,19-21H2,1-3H3,(H,33,36,40)(H,34,38,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108935
PNG
(US8604016, 516)
Show SMILES CCCCNC(=O)Cc1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1
Show InChI InChI=1S/C32H41N7O3S/c1-2-3-18-35-28(40)21-24-12-9-13-25(19-24)22-29(41)36-27(34)17-16-26(33)14-7-8-15-31-38-39-32(43-31)37-30(42)20-23-10-5-4-6-11-23/h4-6,9-13,19,33H,2-3,7-8,14-18,20-22H2,1H3,(H,35,40)(H2,34,36,41)(H,37,39,42)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108936
PNG
(US8604016, 517)
Show SMILES CC(C)CNC(=O)Cc1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1
Show InChI InChI=1S/C32H41N7O3S/c1-22(2)21-35-28(40)19-24-11-8-12-25(17-24)20-29(41)36-27(34)16-15-26(33)13-6-7-14-31-38-39-32(43-31)37-30(42)18-23-9-4-3-5-10-23/h3-5,8-12,17,22,33H,6-7,13-16,18-21H2,1-2H3,(H,35,40)(H2,34,36,41)(H,37,39,42)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108980
PNG
(US8604016, 561 | US9938267, Cmpd ID 562)
Show SMILES CCOC(=O)NC(C)c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C31H35N7O4S/c1-3-42-31(41)32-21(2)24-13-9-12-23(18-24)20-28(40)34-30-38-37-29(43-30)15-8-7-14-25-16-17-26(36-35-25)33-27(39)19-22-10-5-4-6-11-22/h4-6,9-13,16-18,21H,3,7-8,14-15,19-20H2,1-2H3,(H,32,41)(H,33,36,39)(H,34,38,40)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108979
PNG
(BDBM108981 | US8604016, 563 | US9938267, Cmpd ID 5...)
Show SMILES CCOC(=O)NC(C)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C30H33N7O4S/c1-20(31-30(40)41-2)23-12-8-11-22(17-23)19-27(39)33-29-37-36-28(42-29)14-7-6-13-24-15-16-25(35-34-24)32-26(38)18-21-9-4-3-5-10-21/h3-5,8-12,15-17,20H,6-7,13-14,18-19H2,1-2H3,(H,31,40)(H,32,35,38)(H,33,37,39)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108990
PNG
(US8604016, 572 | US9938267, Cmpd ID 572)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(CNC(=O)OCC)c4)nn3)s2)c1
Show InChI InChI=1S/C34H40N8O6S/c1-3-47-33(45)35-21-25-11-7-9-23(17-25)19-29(43)37-28-16-15-27(39-40-28)13-5-6-14-31-41-42-32(49-31)38-30(44)20-24-10-8-12-26(18-24)22-36-34(46)48-4-2/h7-12,15-18H,3-6,13-14,19-22H2,1-2H3,(H,35,45)(H,36,46)(H,37,40,43)(H,38,42,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108994
PNG
(US8604016, 576 | US9938267, Cmpd ID 576)
Show SMILES CC(C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)c1ccc(O)cc1
Show InChI InChI=1S/C36H37N7O4S/c1-24(28-14-17-30(44)18-15-28)35(47)37-23-27-11-7-10-26(20-27)22-33(46)39-36-43-42-34(48-36)13-6-5-12-29-16-19-31(41-40-29)38-32(45)21-25-8-3-2-4-9-25/h2-4,7-11,14-20,24,44H,5-6,12-13,21-23H2,1H3,(H,37,47)(H,38,41,45)(H,39,43,46)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108994
PNG
(US8604016, 576 | US9938267, Cmpd ID 576)
Show SMILES CC(C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)c1ccc(O)cc1
Show InChI InChI=1S/C36H37N7O4S/c1-24(28-14-17-30(44)18-15-28)35(47)37-23-27-11-7-10-26(20-27)22-33(46)39-36-43-42-34(48-36)13-6-5-12-29-16-19-31(41-40-29)38-32(45)21-25-8-3-2-4-9-25/h2-4,7-11,14-20,24,44H,5-6,12-13,21-23H2,1H3,(H,37,47)(H,38,41,45)(H,39,43,46)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108891
PNG
(US8604016, 471 | US9938267, Cmpd ID 471)
Show SMILES CC(C)(C)CNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C33H39N7O3S/c1-33(2,3)22-34-28(41)20-24-12-9-13-25(18-24)21-30(43)36-32-40-39-31(44-32)15-8-7-14-26-16-17-27(38-37-26)35-29(42)19-23-10-5-4-6-11-23/h4-6,9-13,16-18H,7-8,14-15,19-22H2,1-3H3,(H,34,41)(H,35,38,42)(H,36,40,43)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM109041
PNG
(US8604016, 623)
Show SMILES CS(=O)(=O)CCCOc1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1
Show InChI InChI=1S/C30H38N6O5S2/c1-43(39,40)18-8-17-41-25-13-7-11-23(19-25)21-27(37)33-26(32)16-15-24(31)12-5-6-14-29-35-36-30(42-29)34-28(38)20-22-9-3-2-4-10-22/h2-4,7,9-11,13,19,31H,5-6,8,12,14-18,20-21H2,1H3,(H2,32,33,37)(H,34,36,38)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM109060
PNG
(US8604016, 644)
Show SMILES CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCC(=N)CCC(=N)NC(=O)Cc3ccccc3)s2)c1
Show InChI InChI=1S/C31H40N6O4S2/c1-2-3-18-43(40,41)22-25-13-9-12-24(19-25)21-29(39)35-31-37-36-30(42-31)15-8-7-14-26(32)16-17-27(33)34-28(38)20-23-10-5-4-6-11-23/h4-6,9-13,19,32H,2-3,7-8,14-18,20-22H2,1H3,(H2,33,34,38)(H,35,37,39)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM387302
PNG
(US9938267, Cmpd ID 623)
Show SMILES CS(=O)(=O)CCCOc1cccc(CC(=O)N\C(N)=C\C=C(/N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1
Show InChI InChI=1S/C30H38N6O5S2/c1-43(39,40)18-8-17-41-25-13-7-11-23(19-25)21-27(37)33-26(32)16-15-24(31)12-5-6-14-29-35-36-30(42-29)34-28(38)20-22-9-3-2-4-10-22/h2-4,7,9-11,13,15-16,19H,5-6,8,12,14,17-18,20-21,31-32H2,1H3,(H,33,37)(H,34,36,38)/b24-15-,26-16+
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM387316
PNG
(US9938267, Cmpd ID 644)
Show SMILES CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCC\C(N)=C\C=C(/N)NC(=O)Cc3ccccc3)s2)c1
Show InChI InChI=1S/C31H40N6O4S2/c1-2-3-18-43(40,41)22-25-13-9-12-24(19-25)21-29(39)35-31-37-36-30(42-31)15-8-7-14-26(32)16-17-27(33)34-28(38)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,2-3,7-8,14-15,18,20-22,32-33H2,1H3,(H,34,38)(H,35,37,39)/b26-16-,27-17+
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108990
PNG
(US8604016, 572 | US9938267, Cmpd ID 572)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(CNC(=O)OCC)c4)nn3)s2)c1
Show InChI InChI=1S/C34H40N8O6S/c1-3-47-33(45)35-21-25-11-7-9-23(17-25)19-29(43)37-28-16-15-27(39-40-28)13-5-6-14-31-41-42-32(49-31)38-30(44)20-24-10-8-12-26(18-24)22-36-34(46)48-4-2/h7-12,15-18H,3-6,13-14,19-22H2,1-2H3,(H,35,45)(H,36,46)(H,37,40,43)(H,38,42,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108864
PNG
(US8604016, 444 | US9938267, Cmpd ID 444)
Show SMILES CN(Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C36H37N7O3S/c1-43(35(46)24-27-13-6-3-7-14-27)25-29-16-10-15-28(21-29)23-33(45)38-36-42-41-34(47-36)18-9-8-17-30-19-20-31(40-39-30)37-32(44)22-26-11-4-2-5-12-26/h2-7,10-16,19-21H,8-9,17-18,22-25H2,1H3,(H,37,40,44)(H,38,42,45)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108871
PNG
(US8604016, 451 | US9938267, Cmpd ID 451)
Show SMILES CC(=O)Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C28H29N7O3S/c1-19(36)29-23-12-7-10-21(16-23)18-26(38)31-28-35-34-27(39-28)13-6-5-11-22-14-15-24(33-32-22)30-25(37)17-20-8-3-2-4-9-20/h2-4,7-10,12,14-16H,5-6,11,13,17-18H2,1H3,(H,29,36)(H,30,33,37)(H,31,35,38)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108873
PNG
(US8604016, 453 | US9938267, Cmpd ID 453)
Show SMILES CCNC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C30H34N8O3S/c1-2-31-29(41)32-20-23-12-8-11-22(17-23)19-27(40)34-30-38-37-28(42-30)14-7-6-13-24-15-16-25(36-35-24)33-26(39)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H2,31,32,41)(H,33,36,39)(H,34,38,40)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108875
PNG
(US8604016, 455 | US9938267, Cmpd ID 455)
Show SMILES O=C(Cc1cccc(CCNC(=O)c2ccccc2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C35H35N7O3S/c43-31(23-25-10-3-1-4-11-25)37-30-19-18-29(39-40-30)16-7-8-17-33-41-42-35(46-33)38-32(44)24-27-13-9-12-26(22-27)20-21-36-34(45)28-14-5-2-6-15-28/h1-6,9-15,18-19,22H,7-8,16-17,20-21,23-24H2,(H,36,45)(H,37,40,43)(H,38,42,44)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108876
PNG
(US8604016, 456 | US9938267, Cmpd ID 456)
Show SMILES CCOC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C30H32N6O4S/c1-2-40-29(39)20-23-12-8-11-22(17-23)19-27(38)32-30-36-35-28(41-30)14-7-6-13-24-15-16-25(34-33-24)31-26(37)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,34,37)(H,32,36,38)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108878
PNG
(US8604016, 458 | US9938267, Cmpd ID 458)
Show SMILES FC(F)(F)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C29H28F3N7O3S/c30-29(31,32)27(42)33-18-21-10-6-9-20(15-21)17-25(41)35-28-39-38-26(43-28)12-5-4-11-22-13-14-23(37-36-22)34-24(40)16-19-7-2-1-3-8-19/h1-3,6-10,13-15H,4-5,11-12,16-18H2,(H,33,42)(H,34,37,40)(H,35,39,41)
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Calithera Biosciences Inc

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US9938267 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
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