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Compile Data Set for Download or QSAR

Found 395 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2961   
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))
BDBM108772
PNG
(US8604016, 353 | US9938267, Cmpd ID 353)
Show SMILES COc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C27H28N6O3S/c1-36-22-12-7-10-20(16-22)18-25(35)29-27-33-32-26(37-27)13-6-5-11-21-14-15-23(31-30-21)28-24(34)17-19-8-3-2-4-9-19/h2-4,7-10,12,14-16H,5-6,11,13,17-18H2,1H3,(H,28,31,34)(H,29,33,35)
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n/an/a 49n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387594
PNG
(US9938267, Cmpd ID 323)
Show SMILES N=C(CCCCC(=N)SC(=N)NC(=O)Cc1cccc2[nH]ccc12)SC(=N)NC(=O)Cc1cccc2[nH]ccc12
Show InChI InChI=1S/C28H30N8O2S2/c29-23(39-27(31)35-25(37)15-17-5-3-7-21-19(17)11-13-33-21)9-1-2-10-24(30)40-28(32)36-26(38)16-18-6-4-8-22-20(18)12-14-34-22/h3-8,11-14,29-30,33-34H,1-2,9-10,15-16H2,(H2,31,35,37)(H2,32,36,38)
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n/an/a 56n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108715
PNG
(US10793535, Cmpd ID 295 | US8604016, 295 | US99382...)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C26H26N6O2S/c33-23(17-19-9-3-1-4-10-19)27-22-16-15-21(29-30-22)13-7-8-14-25-31-32-26(35-25)28-24(34)18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30,33)(H,28,32,34)
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n/an/a 57n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108755
PNG
(US8604016, 335 | US9938267, Cmpd ID 335)
Show SMILES Clc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C26H25ClN6O2S/c27-20-10-6-9-19(15-20)17-24(35)29-26-33-32-25(36-26)12-5-4-11-21-13-14-22(31-30-21)28-23(34)16-18-7-2-1-3-8-18/h1-3,6-10,13-15H,4-5,11-12,16-17H2,(H,28,31,34)(H,29,33,35)
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n/an/a 62n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387635
PNG
(US9938267, Cmpd ID 363)
Show SMILES N=C(CCCCC(=N)SC(=N)NC(=O)Cc1cccc(c1)-n1ccnc1)SC(=N)NC(=O)Cc1cccc(c1)-n1ccnc1
Show InChI InChI=1S/C30H32N10O2S2/c31-25(43-29(33)37-27(41)17-21-5-3-7-23(15-21)39-13-11-35-19-39)9-1-2-10-26(32)44-30(34)38-28(42)18-22-6-4-8-24(16-22)40-14-12-36-20-40/h3-8,11-16,19-20,31-32H,1-2,9-10,17-18H2,(H2,33,37,41)(H2,34,38,42)
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n/an/a 65n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108756
PNG
(US8604016, 336 | US9938267, Cmpd ID 336)
Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1Cl
Show InChI InChI=1S/C26H25ClN6O3S/c27-20-14-18(10-12-21(20)34)16-24(36)29-26-33-32-25(37-26)9-5-4-8-19-11-13-22(31-30-19)28-23(35)15-17-6-2-1-3-7-17/h1-3,6-7,10-14,34H,4-5,8-9,15-16H2,(H,28,31,35)(H,29,33,36)
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n/an/a 68n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108771
PNG
(US8604016, 352 | US9938267, Cmpd ID 352)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)NCc3ccccc3)s2)nn1
Show InChI InChI=1S/C26H27N7O2S/c34-23(17-19-9-3-1-4-10-19)28-22-16-15-21(30-31-22)13-7-8-14-24-32-33-26(36-24)29-25(35)27-18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,28,31,34)(H2,27,29,33,35)
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n/an/a 69n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387534
PNG
(US9938267, Cmpd ID 264)
Show SMILES COc1ccccc1CC(=O)NC(=N)SC(=N)CCCCC(=N)SC(=N)NC(=O)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N6O4S2/c1-35-19-11-5-3-9-17(19)15-23(33)31-25(29)37-21(27)13-7-8-14-22(28)38-26(30)32-24(34)16-18-10-4-6-12-20(18)36-2/h3-6,9-12,27-28H,7-8,13-16H2,1-2H3,(H2,29,31,33)(H2,30,32,34)
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n/an/a 72n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108786
PNG
(US8604016, 366 | US9938267, Cmpd ID 366)
Show SMILES COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C27H28N6O3S/c1-36-22-12-7-10-20(16-22)18-24(34)28-23-15-14-21(30-31-23)11-5-6-13-26-32-33-27(37-26)29-25(35)17-19-8-3-2-4-9-19/h2-4,7-10,12,14-16H,5-6,11,13,17-18H2,1H3,(H,28,31,34)(H,29,33,35)
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n/an/a 74n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108757
PNG
(US8604016, 337 | US9938267, Cmpd ID 337)
Show SMILES Oc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C26H26N6O3S/c33-21-11-6-9-19(15-21)17-24(35)28-26-32-31-25(36-26)12-5-4-10-20-13-14-22(30-29-20)27-23(34)16-18-7-2-1-3-8-18/h1-3,6-9,11,13-15,33H,4-5,10,12,16-17H2,(H,27,30,34)(H,28,32,35)
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n/an/a 76n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108769
PNG
(US8604016, 350 | US9938267, Cmpd ID 350)
Show SMILES O[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N6O3S/c33-22(17-18-9-3-1-4-10-18)27-21-16-15-20(29-30-21)13-7-8-14-23-31-32-26(36-23)28-25(35)24(34)19-11-5-2-6-12-19/h1-6,9-12,15-16,24,34H,7-8,13-14,17H2,(H,27,30,33)(H,28,32,35)/t24-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108726
PNG
(US8604016, 1038 | US9938267, Cmpd ID 1038)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1
Show InChI InChI=1S/C28H28N6O2/c35-27(19-21-9-3-1-4-10-21)29-25-17-15-23(31-33-25)13-7-8-14-24-16-18-26(34-32-24)30-28(36)20-22-11-5-2-6-12-22/h1-6,9-12,15-18H,7-8,13-14,19-20H2,(H,29,33,35)(H,30,34,36)
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n/an/a 80n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
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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n/an/a 81n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108702
PNG
(US8604016, 282 | US9938267, Cmpd ID 282)
Show SMILES Brc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3Br)s2)s1
Show InChI InChI=1S/C24H22Br2N6O2S2/c25-17-9-3-1-7-15(17)13-19(33)27-23-31-29-21(35-23)11-5-6-12-22-30-32-24(36-22)28-20(34)14-16-8-2-4-10-18(16)26/h1-4,7-10H,5-6,11-14H2,(H,27,31,33)(H,28,32,34)
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n/an/a 82n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108731
PNG
(US8604016, 310 | US9938267, Cmpd ID 310)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)s1
Show InChI InChI=1S/C23H23N7O2S2/c31-18(14-16-8-2-1-3-9-16)25-22-29-27-20(33-22)11-4-5-12-21-28-30-23(34-21)26-19(32)15-17-10-6-7-13-24-17/h1-3,6-10,13H,4-5,11-12,14-15H2,(H,25,29,31)(H,26,30,32)
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n/an/a 83n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108806
PNG
(US8604016, 386 | US9938267, Cmpd ID 386)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)OCc3ccccc3)s2)nn1
Show InChI InChI=1S/C26H26N6O3S/c33-23(17-19-9-3-1-4-10-19)27-22-16-15-21(29-30-22)13-7-8-14-24-31-32-25(36-24)28-26(34)35-18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30,33)(H,28,32,34)
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n/an/a 85n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108803
PNG
(US8604016, 383 | US9938267, Cmpd ID 383)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccn3)nn2)s1
Show InChI InChI=1S/C25H25N7O2S/c33-22(16-18-8-2-1-3-9-18)28-25-32-31-24(35-25)12-5-4-10-19-13-14-21(30-29-19)27-23(34)17-20-11-6-7-15-26-20/h1-3,6-9,11,13-15H,4-5,10,12,16-17H2,(H,27,30,34)(H,28,32,33)
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n/an/a 86n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108785
PNG
(US8604016, 365 | US9938267, Cmpd ID 365)
Show SMILES OC(C(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H25ClN6O3S/c27-19-10-6-9-18(16-19)24(35)25(36)28-21-14-13-20(30-31-21)11-4-5-12-23-32-33-26(37-23)29-22(34)15-17-7-2-1-3-8-17/h1-3,6-10,13-14,16,24,35H,4-5,11-12,15H2,(H,28,31,36)(H,29,33,34)
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n/an/a 92n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM47216
PNG
(US8604016, 340 | US9938267, Cmpd ID 340)
Show SMILES O[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H25ClN6O3S/c27-19-10-6-9-18(16-19)24(35)25(36)29-26-33-32-23(37-26)12-5-4-11-20-13-14-21(31-30-20)28-22(34)15-17-7-2-1-3-8-17/h1-3,6-10,13-14,16,24,35H,4-5,11-12,15H2,(H,28,31,34)(H,29,33,36)/t24-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108799
PNG
(US8604016, 379 | US9938267, Cmpd ID 379)
Show SMILES O=C(Cc1cccc(c1)-n1ccnc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C29H28N8O2S/c38-26(18-21-7-2-1-3-8-21)31-25-14-13-23(33-34-25)10-4-5-12-28-35-36-29(40-28)32-27(39)19-22-9-6-11-24(17-22)37-16-15-30-20-37/h1-3,6-9,11,13-17,20H,4-5,10,12,18-19H2,(H,31,34,38)(H,32,36,39)
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n/an/a 97n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
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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n/an/a 99n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108774
PNG
(US8604016, 355 | US9938267, Cmpd ID 355)
Show SMILES O=C(Cc1cccnc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C25H25N7O2S/c33-22(15-18-7-2-1-3-8-18)27-21-13-12-20(29-30-21)10-4-5-11-24-31-32-25(35-24)28-23(34)16-19-9-6-14-26-17-19/h1-3,6-9,12-14,17H,4-5,10-11,15-16H2,(H,27,30,33)(H,28,32,34)
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n/an/a 100n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387604
PNG
(US9938267, Cmpd ID 333)
Show SMILES OCc1cccc(c1)C(=O)Cc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H25N5O3S2/c31-16-18-9-6-10-19(13-18)20(32)15-24-29-27-22(34-24)11-4-5-12-23-28-30-25(35-23)26-21(33)14-17-7-2-1-3-8-17/h1-3,6-10,13,31H,4-5,11-12,14-16H2,(H,26,30,33)
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n/an/a 100n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108691
PNG
(US8604016, 271 | US9938267, Cmpd ID 271)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1
Show InChI InChI=1S/C26H28N6O4S2/c1-35-19-12-13-20(36-2)18(15-19)16-22(34)28-26-32-30-24(38-26)11-7-6-10-23-29-31-25(37-23)27-21(33)14-17-8-4-3-5-9-17/h3-5,8-9,12-13,15H,6-7,10-11,14,16H2,1-2H3,(H,27,31,33)(H,28,32,34)
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n/an/a 100n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108716
PNG
(US8604016, 296 | US9938267, Cmpd ID 296)
Show SMILES Cc1nccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(Cn5ccnc5C)c4)s3)s2)c1
Show InChI InChI=1S/C34H36N10O2S2/c1-23-35-13-15-43(23)21-27-9-5-7-25(17-27)19-29(45)37-33-41-39-31(47-33)11-3-4-12-32-40-42-34(48-32)38-30(46)20-26-8-6-10-28(18-26)22-44-16-14-36-24(44)2/h5-10,13-18H,3-4,11-12,19-22H2,1-2H3,(H,37,41,45)(H,38,42,46)
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n/an/a 100n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108773
PNG
(US10793535, Cmpd ID 354 | US8604016, 354 | US99382...)
Show SMILES O=C(Cc1ccccn1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C25H25N7O2S/c33-22(16-18-8-2-1-3-9-18)27-21-14-13-19(29-30-21)10-4-5-12-24-31-32-25(35-24)28-23(34)17-20-11-6-7-15-26-20/h1-3,6-9,11,13-15H,4-5,10,12,16-17H2,(H,27,30,33)(H,28,32,34)
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n/an/a 100n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108788
PNG
(US8604016, 368 | US9938267, Cmpd ID 368)
Show SMILES NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C27H29N7O2S/c28-18-21-10-6-9-20(15-21)17-24(35)29-23-14-13-22(31-32-23)11-4-5-12-26-33-34-27(37-26)30-25(36)16-19-7-2-1-3-8-19/h1-3,6-10,13-15H,4-5,11-12,16-18,28H2,(H,29,32,35)(H,30,34,36)
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108586
PNG
(US8604016, 159 | US9938267, Cmpd ID 159)
Show SMILES COc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1
Show InChI InChI=1S/C26H28N6O4S2/c1-35-19-9-5-7-17(13-19)15-21(33)27-25-31-29-23(37-25)11-3-4-12-24-30-32-26(38-24)28-22(34)16-18-8-6-10-20(14-18)36-2/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,27,31,33)(H,28,32,34)
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387526
PNG
(US9938267, Cmpd ID 256)
Show SMILES Clc1ccccc1CC(=O)NC(=N)SC(=N)CCCCC(=N)SC(=N)NC(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C24H26Cl2N6O2S2/c25-17-9-3-1-7-15(17)13-21(33)31-23(29)35-19(27)11-5-6-12-20(28)36-24(30)32-22(34)14-16-8-2-4-10-18(16)26/h1-4,7-10,27-28H,5-6,11-14H2,(H2,29,31,33)(H2,30,32,34)
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108730
PNG
(US8604016, 375 | US9938267, Cmpd ID 309)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)s1
Show InChI InChI=1S/C23H23N7O2S2/c31-18(13-16-7-2-1-3-8-16)25-22-29-27-20(33-22)10-4-5-11-21-28-30-23(34-21)26-19(32)14-17-9-6-12-24-15-17/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H,25,29,31)(H,26,30,32)
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387622
PNG
(US9938267, Cmpd ID 351)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2ccc(CC(=O)Cc3ccccc3)nn2)s1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H25F2N5O3S/c28-19-13-18(14-20(29)15-19)25(36)26(37)30-27-34-33-24(38-27)9-5-4-8-21-10-11-22(32-31-21)16-23(35)12-17-6-2-1-3-7-17/h1-3,6-7,10-11,13-15,25,36H,4-5,8-9,12,16H2,(H,30,34,37)
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108656
PNG
(US8604016, 235 | US9938267, Cmpd ID 235)
Show SMILES OCCOc1cccc(CC(=O)NC(=N)SC(=N)CCCCc2nnc(NC(=O)Cc3cccc(OCCO)c3)s2)c1
Show InChI InChI=1S/C28H34N6O6S2/c29-23(41-27(30)31-24(37)17-19-5-3-7-21(15-19)39-13-11-35)9-1-2-10-26-33-34-28(42-26)32-25(38)18-20-6-4-8-22(16-20)40-14-12-36/h3-8,15-16,29,35-36H,1-2,9-14,17-18H2,(H2,30,31,37)(H,32,34,38)
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n/an/a 110n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108736
PNG
(US8604016, 315 | US9938267, Cmpd ID 315)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1
Show InChI InChI=1S/C26H26N6O3S/c33-22(17-18-9-3-1-4-10-18)27-21-16-15-20(29-30-21)13-7-8-14-23-31-32-26(36-23)28-25(35)24(34)19-11-5-2-6-12-19/h1-6,9-12,15-16,24,34H,7-8,13-14,17H2,(H,27,30,33)(H,28,32,35)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108712
PNG
(US8604016, 292 | US9938267, Cmpd ID 292)
Show SMILES Fc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3F)s2)s1
Show InChI InChI=1S/C24H22F2N6O2S2/c25-17-9-3-1-7-15(17)13-19(33)27-23-31-29-21(35-23)11-5-6-12-22-30-32-24(36-22)28-20(34)14-16-8-2-4-10-18(16)26/h1-4,7-10H,5-6,11-14H2,(H,27,31,33)(H,28,32,34)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387527
PNG
(US9938267, Cmpd ID 257)
Show SMILES COc1cccc(c1)C(CO)C(=O)NC(=N)SC(=N)CCCCC(=N)SC(=N)NC(=O)C(CO)c1cccc(OC)c1
Show InChI InChI=1S/C28H36N6O6S2/c1-39-19-9-5-7-17(13-19)21(15-35)25(37)33-27(31)41-23(29)11-3-4-12-24(30)42-28(32)34-26(38)22(16-36)18-8-6-10-20(14-18)40-2/h5-10,13-14,21-22,29-30,35-36H,3-4,11-12,15-16H2,1-2H3,(H2,31,33,37)(H2,32,34,38)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387520
PNG
(US9938267, Cmpd ID 250)
Show SMILES COc1cccc(CC(=O)NC(=N)SC(=N)CCSCC(=N)SC(=N)NC(=O)Cc2cccc(OC)c2)c1
Show InChI InChI=1S/C25H30N6O4S3/c1-34-18-7-3-5-16(11-18)13-22(32)30-24(28)37-20(26)9-10-36-15-21(27)38-25(29)31-23(33)14-17-6-4-8-19(12-17)35-2/h3-8,11-12,26-27H,9-10,13-15H2,1-2H3,(H2,28,30,32)(H2,29,31,33)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387519
PNG
(US9938267, Cmpd ID 249)
Show SMILES COc1ccccc1CC(=O)NC(=N)SC(=N)CCSCC(=N)SC(=N)NC(=O)Cc1ccccc1OC
Show InChI InChI=1S/C25H30N6O4S3/c1-34-18-9-5-3-7-16(18)13-22(32)30-24(28)37-20(26)11-12-36-15-21(27)38-25(29)31-23(33)14-17-8-4-6-10-19(17)35-2/h3-10,26-27H,11-15H2,1-2H3,(H2,28,30,32)(H2,29,31,33)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108624
PNG
(US8604016, 199 | US9938267, Cmpd ID 199)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C23H22N6O2S3/c30-18(13-16-7-3-1-4-8-16)24-22-28-26-20(33-22)11-12-32-15-21-27-29-23(34-21)25-19(31)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,24,28,30)(H,25,29,31)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108583
PNG
(US8604016, 156 | US9938267, Cmpd ID 156)
Show SMILES COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1
Show InChI InChI=1S/C26H28N6O4S3/c1-35-19-7-3-5-17(13-19)15-21(33)27-25-31-29-23(38-25)9-11-37-12-10-24-30-32-26(39-24)28-22(34)16-18-6-4-8-20(14-18)36-2/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,27,31,33)(H,28,32,34)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387664
PNG
(US9938267, Cmpd ID 640)
Show SMILES N=C(CCCCC(=N)SC(=N)NC(=O)Cc1cccc2[nH]ncc12)SC(=N)CC(=O)Cc1cccc2[nH]ncc12
Show InChI InChI=1S/C27H29N9O2S2/c28-23(39-25(30)13-18(37)11-16-5-3-7-21-19(16)14-32-35-21)9-1-2-10-24(29)40-27(31)34-26(38)12-17-6-4-8-22-20(17)15-33-36-22/h3-8,14-15,28-30H,1-2,9-13H2,(H,32,35)(H,33,36)(H2,31,34,38)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108800
PNG
(US8604016, 380 | US9938267, Cmpd ID 380)
Show SMILES Cc1nccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C31H32N8O2S/c1-22-32-16-17-39(22)21-25-11-7-10-24(18-25)20-29(41)34-31-38-37-30(42-31)13-6-5-12-26-14-15-27(36-35-26)33-28(40)19-23-8-3-2-4-9-23/h2-4,7-11,14-18H,5-6,12-13,19-21H2,1H3,(H,33,36,40)(H,34,38,41)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM47217
PNG
(US8604016, 349 | US9938267, Cmpd ID 349)
Show SMILES O[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N6O3S/c33-22(17-18-9-3-1-4-10-18)27-21-16-15-20(29-30-21)13-7-8-14-23-31-32-26(36-23)28-25(35)24(34)19-11-5-2-6-12-19/h1-6,9-12,15-16,24,34H,7-8,13-14,17H2,(H,27,30,33)(H,28,32,35)/t24-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108765
PNG
(US8604016, 346 | US9938267, Cmpd ID 346)
Show SMILES Oc1c(F)ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1F
Show InChI InChI=1S/C24H22F2N6O3S2/c25-16-11-10-15(21(26)22(16)35)13-18(34)28-24-32-30-20(37-24)9-5-4-8-19-29-31-23(36-19)27-17(33)12-14-6-2-1-3-7-14/h1-3,6-7,10-11,35H,4-5,8-9,12-13H2,(H,27,31,33)(H,28,32,34)
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n/an/a 120n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108766
PNG
(US8604016, 527 | US9938267, Cmpd ID 527)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H23ClN6O3S2/c25-17-10-6-9-16(14-17)21(33)22(34)27-24-31-29-20(36-24)12-5-4-11-19-28-30-23(35-19)26-18(32)13-15-7-2-1-3-8-15/h1-3,6-10,14,21,33H,4-5,11-13H2,(H,26,30,32)(H,27,31,34)
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n/an/a 130n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108590
PNG
(US8604016, 163 | US9938267, Cmpd ID 163)
Show SMILES COc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(OC)cc4)s3)s2)cc1
Show InChI InChI=1S/C26H28N6O4S2/c1-35-19-11-7-17(8-12-19)15-21(33)27-25-31-29-23(37-25)5-3-4-6-24-30-32-26(38-24)28-22(34)16-18-9-13-20(36-2)14-10-18/h7-14H,3-6,15-16H2,1-2H3,(H,27,31,33)(H,28,32,34)
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n/an/a 130n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108760
PNG
(US8604016, 341 | US9938267, Cmpd ID 341)
Show SMILES NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C27H29N7O2S/c28-18-21-10-6-9-20(15-21)17-25(36)30-27-34-33-26(37-27)12-5-4-11-22-13-14-23(32-31-22)29-24(35)16-19-7-2-1-3-8-19/h1-3,6-10,13-15H,4-5,11-12,16-18,28H2,(H,29,32,35)(H,30,34,36)
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n/an/a 130n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108735
PNG
(US8604016, 314 | US9938267, Cmpd ID 314)
Show SMILES OCC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1
Show InChI InChI=1S/C27H28N6O3S/c34-18-22(20-11-5-2-6-12-20)26(36)29-27-33-32-25(37-27)14-8-7-13-21-15-16-23(31-30-21)28-24(35)17-19-9-3-1-4-10-19/h1-6,9-12,15-16,22,34H,7-8,13-14,17-18H2,(H,28,31,35)(H,29,33,36)
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n/an/a 140n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM108693
PNG
(US8604016, 273 | US9938267, Cmpd ID 273)
Show SMILES Fc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(F)c4)s3)s2)c1
Show InChI InChI=1S/C24H22F2N6O2S2/c25-17-7-3-5-15(11-17)13-19(33)27-23-31-29-21(35-23)9-1-2-10-22-30-32-24(36-22)28-20(34)14-16-6-4-8-18(26)12-16/h3-8,11-12H,1-2,9-10,13-14H2,(H,27,31,33)(H,28,32,34)
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n/an/a 140n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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


(Homo sapiens (Human))
BDBM387665
PNG
(US9938267, Cmpd ID 641)
Show SMILES N=C(CCCCC(=N)SC(=N)NC(=O)Cc1cccc2ncccc12)SC(=N)CC(=O)Cc1cccc2ncccc12
Show InChI InChI=1S/C31H31N7O2S2/c32-27(41-29(34)19-22(39)17-20-7-3-11-25-23(20)9-5-15-36-25)13-1-2-14-28(33)42-31(35)38-30(40)18-21-8-4-12-26-24(21)10-6-16-37-26/h3-12,15-16,32-34H,1-2,13-14,17-19H2,(H2,35,38,40)
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n/an/a 140n/an/an/an/an/an/a



Amgen



Assay Description
No preinc (Column 4).


J Med Chem 51: 1681-94 (2008)


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