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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50006778   
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))		BDBM50503299
PNG
(CHEMBL4538736)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |r|
Show InChI InChI=1S/C28H26F3N7O3S/c29-28(30,31)41-22-6-3-4-17(14-22)15-24(39)33-23-10-9-21(35-36-23)13-18-7-8-19(12-18)26-37-38-27(42-26)34-25(40)16-20-5-1-2-11-32-20/h1-6,9-11,14,18-19H,7-8,12-13,15-16H2,(H,33,36,39)(H,34,38,40)/t18-,19+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503300
PNG
(CHEMBL4547874)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(C[C@H]3C[C@H](C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |r,wD:21.23,19.18,(91.7,-43.25,;90.36,-44.02,;90.37,-45.56,;91.69,-44.79,;89.02,-43.26,;87.7,-44.03,;87.71,-45.58,;86.37,-46.35,;85.03,-45.58,;85.04,-44.04,;83.7,-43.27,;82.37,-44.04,;82.37,-45.58,;81.03,-43.27,;79.7,-44.04,;79.7,-45.58,;78.36,-46.36,;77.04,-45.58,;75.71,-46.35,;74.37,-45.57,;73.98,-44.09,;72.49,-44.49,;72.89,-45.97,;71.16,-43.72,;70.68,-42.25,;69.14,-42.25,;68.67,-43.72,;67.32,-44.48,;65.99,-43.7,;66,-42.16,;64.65,-44.46,;63.33,-43.68,;63.35,-42.14,;62.02,-41.36,;60.68,-42.12,;60.67,-43.67,;62,-44.44,;69.92,-44.63,;77.03,-44.04,;78.35,-43.27,;86.36,-43.27,)|
Show InChI InChI=1S/C27H24F3N7O3S/c28-27(29,30)40-21-6-3-4-16(13-21)14-23(38)32-22-8-7-20(34-35-22)12-17-10-18(11-17)25-36-37-26(41-25)33-24(39)15-19-5-1-2-9-31-19/h1-9,13,17-18H,10-12,14-15H2,(H,32,35,38)(H,33,37,39)/t17-,18+
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503313
PNG
(CHEMBL4454263)
Show SMILES Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1 |r,wU:16.17,18.21,wD:14.14,(22.28,-3.9,;23.81,-3.75,;24.59,-2.42,;26.09,-2.75,;26.25,-4.29,;27.58,-5.07,;28.91,-4.31,;28.93,-2.77,;30.24,-5.09,;31.58,-4.33,;32.06,-2.86,;33.6,-2.86,;34.08,-4.33,;32.83,-5.23,;35.41,-5.09,;35.8,-6.58,;37.29,-6.19,;37.69,-7.68,;39.17,-7.28,;38.78,-5.79,;40.51,-8.05,;41.75,-7.14,;43,-8.05,;42.52,-9.51,;43.84,-10.28,;45.18,-9.52,;45.19,-7.98,;46.51,-10.29,;47.85,-9.53,;48.01,-7.99,;49.52,-7.67,;50.28,-9.01,;51.82,-9.17,;49.25,-10.15,;40.98,-9.51,;36.89,-4.7,;24.83,-4.9,)|
Show InChI InChI=1S/C23H26N10O2S2/c1-32-5-3-15(30-32)7-17(34)24-21-28-26-19(36-21)13-9-23(10-13)11-14(12-23)20-27-29-22(37-20)25-18(35)8-16-4-6-33(2)31-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,28,34)(H,25,29,35)/t13-,14-,23-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503298
PNG
(CHEMBL4462146)
Show SMILES Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1 |r,wU:14.14,16.38,wD:18.21,(1.74,-4.96,;3.28,-4.81,;4.06,-3.49,;5.56,-3.82,;5.71,-5.35,;7.04,-6.13,;8.38,-5.37,;8.39,-3.83,;9.71,-6.15,;11.05,-5.39,;11.53,-3.92,;13.07,-3.92,;13.54,-5.39,;12.3,-6.29,;14.87,-6.16,;16.35,-5.76,;16.76,-7.26,;18.24,-6.86,;18.64,-8.34,;17.15,-8.74,;19.98,-9.11,;21.22,-8.21,;22.47,-9.11,;21.99,-10.58,;23.31,-11.35,;24.65,-10.58,;24.65,-9.04,;25.98,-11.36,;27.32,-10.59,;27.48,-9.05,;28.99,-8.74,;29.75,-10.07,;31.28,-10.24,;28.72,-11.21,;20.45,-10.58,;15.27,-7.64,;4.3,-5.97,)|
Show InChI InChI=1S/C23H26N10O2S2/c1-32-5-3-15(30-32)7-17(34)24-21-28-26-19(36-21)13-9-23(10-13)11-14(12-23)20-27-29-22(37-20)25-18(35)8-16-4-6-33(2)31-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,28,34)(H,25,29,35)/t13-,14-,23-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
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 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM416667
PNG
((2R)-2-Methoxy-2-[3-methoxy-5-(trifluoromethoxy)ph...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cc(OC)cc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H22F3N7O4S/c1-33-14-8-12(9-15(10-14)35-21(22,23)24)17(34-2)18(32)27-20-30-29-19(36-20)26-13-5-7-31(11-13)16-4-3-6-25-28-16/h3-4,6,8-10,13,17H,5,7,11H2,1-2H3,(H,26,29)(H,27,30,32)/t13-,17-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM416666
PNG
((2S)-2-Methoxy-2-[3-methoxy-5-(trifluoromethoxy)ph...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cc(OC)cc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H22F3N7O4S/c1-33-14-8-12(9-15(10-14)35-21(22,23)24)17(34-2)18(32)27-20-30-29-19(36-20)26-13-5-7-31(11-13)16-4-3-6-25-28-16/h3-4,6,8-10,13,17H,5,7,11H2,1-2H3,(H,26,29)(H,27,30,32)/t13-,17+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Mus musculus)		BDBM50503321
PNG
(CHEMBL4540444)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CC3CC(C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |(59.77,-42.92,;58.44,-43.69,;58.44,-45.23,;59.76,-44.46,;57.1,-42.93,;55.77,-43.7,;55.78,-45.25,;54.44,-46.03,;53.11,-45.25,;53.11,-43.71,;51.78,-42.95,;50.44,-43.71,;50.44,-45.25,;49.11,-42.95,;47.77,-43.72,;47.77,-45.26,;46.44,-46.03,;45.12,-45.25,;43.78,-46.02,;42.44,-45.25,;40.96,-45.64,;40.57,-44.16,;42.05,-43.77,;39.24,-43.4,;38.76,-41.92,;37.22,-41.92,;36.74,-43.4,;35.4,-44.15,;34.07,-43.38,;34.08,-41.84,;32.73,-44.13,;31.4,-43.36,;31.42,-41.82,;30.1,-41.03,;28.75,-41.8,;28.75,-43.35,;30.07,-44.11,;37.99,-44.3,;45.11,-43.72,;46.43,-42.95,;54.44,-42.95,)|
Show InChI InChI=1S/C27H24F3N7O3S/c28-27(29,30)40-21-6-3-4-16(13-21)14-23(38)32-22-8-7-20(34-35-22)12-17-10-18(11-17)25-36-37-26(41-25)33-24(39)15-19-5-1-2-9-31-19/h1-9,13,17-18H,10-12,14-15H2,(H,32,35,38)(H,33,37,39)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM332752
PNG
((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[6-...)
Show SMILES CO[C@H](C(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1)c1cccc(OC(F)F)c1 |r|
Show InChI InChI=1S/C22H23F2N7O3/c1-33-20(14-4-2-5-16(12-14)34-22(23)24)21(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h2-8,10,12,15,20,22H,9,11,13H2,1H3,(H,26,28)(H,27,29,32)/t15-,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM387008
PNG
((2S)-N-[5-[[(3R)-1-(6-Fluoropyridazin-3-yl)pyrroli...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2ccc(F)nn2)s1)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C20H22FN7O3S/c1-30-14-5-3-4-12(10-14)17(31-2)18(29)23-20-27-26-19(32-20)22-13-8-9-28(11-13)16-7-6-15(21)24-25-16/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,22,26)(H,23,27,29)/t13-,17+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM387025
PNG
((2S)-N-[5-[[(3R)-1-(5-Chloropyridazin-3-yl)pyrroli...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cc(Cl)cnn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C19H20ClN7O2S/c1-29-16(12-5-3-2-4-6-12)17(28)23-19-26-25-18(30-19)22-14-7-8-27(11-14)15-9-13(20)10-21-24-15/h2-6,9-10,14,16H,7-8,11H2,1H3,(H,22,25)(H,23,26,28)/t14-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Mus musculus)		BDBM50503296
PNG
(CHEMBL4452754)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(nn2)N2CCC(CC2)c2nnc(NC(=O)Cc3ccccn3)s2)c1
Show InChI InChI=1S/C27H25F3N8O3S/c28-27(29,30)41-20-6-3-4-17(14-20)15-23(39)32-21-7-8-22(35-34-21)38-12-9-18(10-13-38)25-36-37-26(42-25)33-24(40)16-19-5-1-2-11-31-19/h1-8,11,14,18H,9-10,12-13,15-16H2,(H,32,34,39)(H,33,37,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Mus musculus)		BDBM50503289
PNG
(CHEMBL4462220)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(nn2)N2CCCC(C2)c2nnc(NC(=O)Cc3ccccn3)s2)c1
Show InChI InChI=1S/C27H25F3N8O3S/c28-27(29,30)41-20-8-3-5-17(13-20)14-23(39)32-21-9-10-22(35-34-21)38-12-4-6-18(16-38)25-36-37-26(42-25)33-24(40)15-19-7-1-2-11-31-19/h1-3,5,7-11,13,18H,4,6,12,14-16H2,(H,32,34,39)(H,33,37,40)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Mus musculus)		BDBM50503294
PNG
(CHEMBL4577734)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(s2)C2CCN(CC2)c2ccc(NC(=O)Cc3ccccn3)nn2)c1
Show InChI InChI=1S/C27H25F3N8O3S/c28-27(29,30)41-20-6-3-4-17(14-20)15-23(39)33-26-37-36-25(42-26)18-9-12-38(13-10-18)22-8-7-21(34-35-22)32-24(40)16-19-5-1-2-11-31-19/h1-8,11,14,18H,9-10,12-13,15-16H2,(H,32,34,40)(H,33,37,39)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Mus musculus)		BDBM50503291
PNG
(CHEMBL4562029)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)cn2)c1
Show InChI InChI=1S/C27H25F3N6O3S/c28-27(29,30)39-21-9-5-7-19(14-21)15-23(37)33-22-12-11-18(17-32-22)6-1-2-10-25-35-36-26(40-25)34-24(38)16-20-8-3-4-13-31-20/h3-5,7-9,11-14,17H,1-2,6,10,15-16H2,(H,32,33,37)(H,34,36,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse kidney glutaminase assessed as ammonia formation using glutamine as substrate by Nessler's reagent based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM278471
PNG
((1S)-2-methyl-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolid...)
Show SMILES CN1CCc2ccccc2[C@H]1C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C21H24N8OS/c1-28-11-8-14-5-2-3-6-16(14)18(28)19(30)24-21-27-26-20(31-21)23-15-9-12-29(13-15)17-7-4-10-22-25-17/h2-7,10,15,18H,8-9,11-13H2,1H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50172138
PNG
(CHEMBL3808443 | US10040788, Example 1(a) | US10294...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C18H20N8O2S/c1-28-14(12-5-3-2-4-6-12)15(27)22-18-25-24-17(29-18)21-13-7-10-26(11-13)16-19-8-9-20-23-16/h2-6,8-9,13-14H,7,10-11H2,1H3,(H,21,24)(H,22,25,27)/t13-,14+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50178230
PNG
(CHEMBL3814265 | US11191732, Example 5)
Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1
Show InChI InChI=1S/C24H24N6O3S2/c31-18-12-10-17(11-13-18)15-20(33)26-24-30-28-22(35-24)9-5-4-8-21-27-29-23(34-21)25-19(32)14-16-6-2-1-3-7-16/h1-3,6-7,10-13,31H,4-5,8-9,14-15H2,(H,25,29,32)(H,26,30,33)
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM108684
PNG
(US8604016, 264)
Show SMILES COc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1
Show InChI InChI=1S/C26H28N6O4S2/c1-35-19-11-5-3-9-17(19)15-21(33)27-25-31-29-23(37-25)13-7-8-14-24-30-32-26(38-24)28-22(34)16-18-10-4-6-12-20(18)36-2/h3-6,9-12H,7-8,13-16H2,1-2H3,(H,27,31,33)(H,28,32,34)
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n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503322
PNG
(CHEMBL4555100)
Show SMILES O=C(Cc1ccccn1)Nc1nnc(s1)[C@H]1CCC[C@@H](C1)c1nnc(NC(=O)Cc2ccccn2)s1 |r|
Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-17-8-1-3-10-25-17)27-23-31-29-21(35-23)15-6-5-7-16(12-15)22-30-32-24(36-22)28-20(34)14-18-9-2-4-11-26-18/h1-4,8-11,15-16H,5-7,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503316
PNG
(CHEMBL4473972)
Show SMILES O=C(Cc1ccccn1)Nc1ccc(nn1)[C@H]1CCC[C@H](C1)c1ccc(NC(=O)Cc2ccccn2)nn1 |r|
Show InChI InChI=1S/C28H28N8O2/c37-27(17-21-8-1-3-14-29-21)31-25-12-10-23(33-35-25)19-6-5-7-20(16-19)24-11-13-26(36-34-24)32-28(38)18-22-9-2-4-15-30-22/h1-4,8-15,19-20H,5-7,16-18H2,(H,31,35,37)(H,32,36,38)/t19-,20+
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n/an/a<100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503315
PNG
(CHEMBL4583483)
Show SMILES O=C(Cc1ccccn1)Nc1nnc(s1)[C@H]1CC[C@@H](C1)c1nnc(NC(=O)Cc2ccccn2)s1 |r|
Show InChI InChI=1S/C23H22N8O2S2/c32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33)/t14-,15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503309
PNG
(CHEMBL4476215)
Show SMILES O=C(CCCC(=O)c1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)CCCC(=O)c3ccccc3)s2)s1
Show InChI InChI=1S/C30H32N6O4S2/c37-23(21-11-3-1-4-12-21)15-9-17-25(39)31-29-35-33-27(41-29)19-7-8-20-28-34-36-30(42-28)32-26(40)18-10-16-24(38)22-13-5-2-6-14-22/h1-6,11-14H,7-10,15-20H2,(H,31,35,39)(H,32,36,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503308
PNG
(CHEMBL4528646)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3c[nH]c4ccccc34)s2)s1
Show InChI InChI=1S/C28H26N8O2S2/c37-23(13-17-15-29-21-9-3-1-7-19(17)21)31-27-35-33-25(39-27)11-5-6-12-26-34-36-28(40-26)32-24(38)14-18-16-30-22-10-4-2-8-20(18)22/h1-4,7-10,15-16,29-30H,5-6,11-14H2,(H,31,35,37)(H,32,36,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM404693
PNG
(N-(pyridin-2-ylmethyl)-5-[4-(6- {2-[3-(trifluorome...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(s3)C(=O)NCc3ccccn3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)32-21-12-11-18(33-34-21)7-1-2-10-23-35-36-25(40-23)24(38)31-16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,38)(H,32,34,37)
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n/an/a<100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM405185
PNG
(N-(pyridin-2-ylmethyl)-1-[4-(6-{2-[3- (trifluorome...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCn3cc(nn3)C(=O)NCc3ccccn3)nn2)c1
Show InChI InChI=1S/C26H25F3N8O3/c27-26(28,29)40-21-9-5-6-18(14-21)15-24(38)32-23-11-10-19(33-35-23)7-2-4-13-37-17-22(34-36-37)25(39)31-16-20-8-1-3-12-30-20/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38)
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n/an/a<100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503307
PNG
(CHEMBL4466771)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)[C@H]1CCC[C@@H](C1)c1nnc(NC(=O)Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C26H26N6O2S2/c33-21(14-17-8-3-1-4-9-17)27-25-31-29-23(35-25)19-12-7-13-20(16-19)24-30-32-26(36-24)28-22(34)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,27,31,33)(H,28,32,34)/t19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503306
PNG
(CHEMBL4591144)
Show SMILES CC(=O)Nc1ccc(nn1)[C@H]1CCC[C@H](C1)c1ccc(NC(C)=O)nn1 |r|
Show InChI InChI=1S/C18H22N6O2/c1-11(25)19-17-8-6-15(21-23-17)13-4-3-5-14(10-13)16-7-9-18(24-22-16)20-12(2)26/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,23,25)(H,20,24,26)/t13-,14+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


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

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503303
PNG
(CHEMBL4556025)
Show SMILES O=C(Cc1ccccn1)Nc1nnc(s1)[C@@H]1CC[C@H](C1)c1nnc(NC(=O)Cc2ccccn2)s1 |r|
Show InChI InChI=1S/C23H22N8O2S2/c32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33)/t14-,15-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503297
PNG
(CHEMBL4563113)
Show SMILES FC(F)(F)Oc1cccc(c1)[C@@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C22H23F3N8O2S/c23-22(24,25)35-16-5-1-4-14(12-16)18(32-9-3-10-32)19(34)28-21-31-30-20(36-21)27-15-7-11-33(13-15)17-6-2-8-26-29-17/h1-2,4-6,8,12,15,18H,3,7,9-11,13H2,(H,27,30)(H,28,31,34)/t15-,18-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503295
PNG
(CHEMBL4455802)
Show SMILES FC(F)(F)c1ccnc(CNC(=O)c2nnc(s2)N2CC[C@@H](C2)c2ccc(NC(=O)Cc3ccccn3)nn2)c1 |r|
Show InChI InChI=1S/C25H22F3N9O2S/c26-25(27,28)16-6-9-30-18(11-16)13-31-22(39)23-35-36-24(40-23)37-10-7-15(14-37)19-4-5-20(34-33-19)32-21(38)12-17-3-1-2-8-29-17/h1-6,8-9,11,15H,7,10,12-14H2,(H,31,39)(H,32,34,38)/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503305
PNG
(CHEMBL4533926)
Show SMILES O=C(Cc1ccccn1)Nc1ccc(nn1)[C@H]1CCC[C@@H](C1)c1ccc(NC(=O)Cc2ccccn2)nn1 |r|
Show InChI InChI=1S/C28H28N8O2/c37-27(17-21-8-1-3-14-29-21)31-25-12-10-23(33-35-25)19-6-5-7-20(16-19)24-11-13-26(36-34-24)32-28(38)18-22-9-2-4-15-30-22/h1-4,8-15,19-20H,5-7,16-18H2,(H,31,35,37)(H,32,36,38)/t19-,20-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503319
PNG
(CHEMBL4560800)
Show SMILES OCCOc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OCCO)c4)s3)s2)c1
Show InChI InChI=1S/C28H32N6O6S2/c35-11-13-39-21-7-3-5-19(15-21)17-23(37)29-27-33-31-25(41-27)9-1-2-10-26-32-34-28(42-26)30-24(38)18-20-6-4-8-22(16-20)40-14-12-36/h3-8,15-16,35-36H,1-2,9-14,17-18H2,(H,29,33,37)(H,30,34,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50178226
PNG
(CHEMBL3813967)
Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(O)cc4)s3)s2)cc1
Show InChI InChI=1S/C24H24N6O4S2/c31-17-9-5-15(6-10-17)13-19(33)25-23-29-27-21(35-23)3-1-2-4-22-28-30-24(36-22)26-20(34)14-16-7-11-18(32)12-8-16/h5-12,31-32H,1-4,13-14H2,(H,25,29,33)(H,26,30,34)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM278401
PNG
((2R)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM108464
PNG
(US8604016, 21 | US9938267, Cmpd ID 21)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C24H24N6O2S2/c31-19(15-17-9-3-1-4-10-17)25-23-29-27-21(33-23)13-7-8-14-22-28-30-24(34-22)26-20(32)16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,25,29,31)(H,26,30,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM278463
PNG
((2S)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CN(C)[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H23F3N8O2S/c1-31(2)17(13-5-3-6-15(11-13)34-21(22,23)24)18(33)27-20-30-29-19(35-20)26-14-8-10-32(12-14)16-7-4-9-25-28-16/h3-7,9,11,14,17H,8,10,12H2,1-2H3,(H,26,29)(H,27,30,33)/t14-,17+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM108621
PNG
(US8604016, 196 | US9938267, Cmpd ID 196)
Show SMILES Nc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(N)cc4)s3)s2)cc1
Show InChI InChI=1S/C24H26N8O2S2/c25-17-9-5-15(6-10-17)13-19(33)27-23-31-29-21(35-23)3-1-2-4-22-30-32-24(36-22)28-20(34)14-16-7-11-18(26)12-8-16/h5-12H,1-4,13-14,25-26H2,(H,27,31,33)(H,28,32,34)
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
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 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (1 to 669 residues) preincubated for 20 mins using 7 mM glutamine as substrate

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of human GAC assessed as NADH formation using 10 mM glutamine as substrate

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM278482
PNG
((2S)-2-(dimethylamino)-2-(4-methoxyphenyl)-N- | US...)
Show SMILES COc1ccc(cc1)[C@H](N(C)C)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r|
Show InChI InChI=1S/C21H26N8O2S/c1-28(2)18(14-6-8-16(31-3)9-7-14)19(30)24-21-27-26-20(32-21)23-15-10-12-29(13-15)17-5-4-11-22-25-17/h4-9,11,15,18H,10,12-13H2,1-3H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503293
PNG
(CHEMBL4436330)
Show SMILES CNc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(NC)cc4)s3)s2)cc1
Show InChI InChI=1S/C26H30N8O2S2/c1-27-19-11-7-17(8-12-19)15-21(35)29-25-33-31-23(37-25)5-3-4-6-24-32-34-26(38-24)30-22(36)16-18-9-13-20(28-2)14-10-18/h7-14,27-28H,3-6,15-16H2,1-2H3,(H,29,33,35)(H,30,34,36)
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
BindingDB Entry DOI: 10.7270/Q26T0QZ0
More data for this
Ligand-Target Pair
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