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PubMed code 23151085

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM108460
PNG
(CHEMBL2178393 | US11191732, Example 1 | US8604016,...)
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))		BDBM50400058
PNG
(CHEMBL2177749)
Show SMILES O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H35N5O2S/c34-25(29-17-20-33-18-15-24(16-19-33)23-11-5-2-6-12-23)13-7-8-14-27-31-32-28(36-27)30-26(35)21-22-9-3-1-4-10-22/h1-6,9-12,24H,7-8,13-21H2,(H,29,34)(H,30,32,35)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400072
PNG
(CHEMBL2178396 | US11191732, Example 3)
Show SMILES Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C16H18N6OS2/c17-15-21-19-13(24-15)8-4-5-9-14-20-22-16(25-14)18-12(23)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,17,21)(H,18,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400067
PNG
(CHEMBL2177740)
Show SMILES Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(F)cc3)s2)s1
Show InChI InChI=1S/C16H17FN6OS2/c17-11-7-5-10(6-8-11)9-12(24)19-16-23-21-14(26-16)4-2-1-3-13-20-22-15(18)25-13/h5-8H,1-4,9H2,(H2,18,22)(H,19,23,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM108460
PNG
(CHEMBL2178393 | US11191732, Example 1 | US8604016,...)
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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n/an/a 2.70E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		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 3.30E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50400059
PNG
(CHEMBL2177748)
Show SMILES OC1CCN(CCNC(=O)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)CC1
Show InChI InChI=1S/C22H31N5O3S/c28-18-10-13-27(14-11-18)15-12-23-19(29)8-4-5-9-21-25-26-22(31-21)24-20(30)16-17-6-2-1-3-7-17/h1-3,6-7,18,28H,4-5,8-16H2,(H,23,29)(H,24,26,30)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400068
PNG
(CHEMBL2177739)
Show SMILES Cc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(N)s3)s2)cc1
Show InChI InChI=1S/C17H20N6OS2/c1-11-6-8-12(9-7-11)10-13(24)19-17-23-21-15(26-17)5-3-2-4-14-20-22-16(18)25-14/h6-9H,2-5,10H2,1H3,(H2,18,22)(H,19,23,24)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400063
PNG
(CHEMBL2177744 | US11191732, Example 4)
Show SMILES O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCCC1
Show InChI InChI=1S/C21H29N5O2S/c27-18(22-12-15-26-13-6-7-14-26)10-4-5-11-20-24-25-21(29-20)23-19(28)16-17-8-2-1-3-9-17/h1-3,8-9H,4-7,10-16H2,(H,22,27)(H,23,25,28)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400054
PNG
(CHEMBL2177753)
Show SMILES CN(C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1)C(C)(C)C
Show InChI InChI=1S/C20H28N4O2S/c1-20(2,3)24(4)18(26)13-9-8-12-17-22-23-19(27-17)21-16(25)14-15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,21,23,25)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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 liver isoform, mitochondrial


(Mus musculus)		BDBM108460
PNG
(CHEMBL2178393 | US11191732, Example 1 | US8604016,...)
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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n/an/a 5.50E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of mouse GLS2 using glutamine as substrate by fluorescence-based GLS assay

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))		BDBM50400070
PNG
(CHEMBL2178398)
Show SMILES Nc1nnc(CCCCc2nnc(NC(=O)c3ccccc3)s2)s1
Show InChI InChI=1S/C15H16N6OS2/c16-14-20-18-11(23-14)8-4-5-9-12-19-21-15(24-12)17-13(22)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,16,20)(H,17,21,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400061
PNG
(CHEMBL2177746)
Show SMILES CN1CCCC1CCNC(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H31N5O2S/c1-27-15-7-10-18(27)13-14-23-19(28)11-5-6-12-21-25-26-22(30-21)24-20(29)16-17-8-3-2-4-9-17/h2-4,8-9,18H,5-7,10-16H2,1H3,(H,23,28)(H,24,26,29)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400060
PNG
(CHEMBL2177747)
Show SMILES O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCCCC1
Show InChI InChI=1S/C22H31N5O2S/c28-19(23-13-16-27-14-7-2-8-15-27)11-5-6-12-21-25-26-22(30-21)24-20(29)17-18-9-3-1-4-10-18/h1,3-4,9-10H,2,5-8,11-17H2,(H,23,28)(H,24,26,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400055
PNG
(CHEMBL2177752)
Show SMILES CC(C)(C)NC(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C19H26N4O2S/c1-19(2,3)21-15(24)11-7-8-12-17-22-23-18(26-17)20-16(25)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3,(H,21,24)(H,20,23,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400066
PNG
(CHEMBL2177741)
Show SMILES CC(C(=O)Nc1nnc(CCCCc2nnc(N)s2)s1)c1ccccc1
Show InChI InChI=1S/C17H20N6OS2/c1-11(12-7-3-2-4-8-12)15(24)19-17-23-21-14(26-17)10-6-5-9-13-20-22-16(18)25-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,18,22)(H,19,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400073
PNG
(CHEMBL2178395)
Show SMILES Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C15H16N6OS2/c16-14-20-18-12(23-14)7-4-8-13-19-21-15(24-13)17-11(22)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,16,20)(H,17,21,22)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400069
PNG
(CHEMBL2177738)
Show SMILES Nc1nnc(CCCCc2nnc(NC(=O)CC3CCCCC3)s2)s1
Show InChI InChI=1S/C16H24N6OS2/c17-15-21-19-13(24-15)8-4-5-9-14-20-22-16(25-14)18-12(23)10-11-6-2-1-3-7-11/h11H,1-10H2,(H2,17,21)(H,18,22,23)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400056
PNG
(CHEMBL2177751)
Show SMILES CCN(CC)CCNC(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H31N5O2S/c1-3-26(4-2)15-14-22-18(27)12-8-9-13-20-24-25-21(29-20)23-19(28)16-17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,22,27)(H,23,25,28)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400052
PNG
(CHEMBL2177755)
Show SMILES CN(C)c1ccc(CNC(=O)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)cc1
Show InChI InChI=1S/C24H29N5O2S/c1-29(2)20-14-12-19(13-15-20)17-25-21(30)10-6-7-11-23-27-28-24(32-23)26-22(31)16-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,25,30)(H,26,28,31)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400074
PNG
(CHEMBL2178394)
Show SMILES Nc1nnc(CCS(=O)CCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C16H18N6O2S3/c17-15-21-19-13(25-15)6-8-27(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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n/an/a 6.10E+4n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400064
PNG
(CHEMBL2177743)
Show SMILES Nc1nnc(CCCCc2cnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C17H19N5OS2/c18-16-22-21-15(25-16)9-5-4-8-13-11-19-17(24-13)20-14(23)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H2,18,22)(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400071
PNG
(CHEMBL2178397)
Show SMILES Nc1nnc(CCCCc2nnc(NC(=O)CCc3ccccc3)s2)s1
Show InChI InChI=1S/C17H20N6OS2/c18-16-22-20-14(25-16)8-4-5-9-15-21-23-17(26-15)19-13(24)11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,18,22)(H,19,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400053
PNG
(CHEMBL2177754)
Show SMILES O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCc1ccccc1
Show InChI InChI=1S/C22H24N4O2S/c27-19(23-16-18-11-5-2-6-12-18)13-7-8-14-21-25-26-22(29-21)24-20(28)15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400062
PNG
(CHEMBL2177745)
Show SMILES CN(CCN1CCCC1)C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H31N5O2S/c1-26(15-16-27-13-7-8-14-27)21(29)12-6-5-11-20-24-25-22(30-20)23-19(28)17-18-9-3-2-4-10-18/h2-4,9-10H,5-8,11-17H2,1H3,(H,23,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400049
PNG
(CHEMBL2177758 | US11191732, Example 2)
Show SMILES Nc1nnc(CCSCCc2nnc(N)s2)s1
Show InChI InChI=1S/C8H12N6S3/c9-7-13-11-5(16-7)1-3-15-4-2-6-12-14-8(10)17-6/h1-4H2,(H2,9,13)(H2,10,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50400065
PNG
(CHEMBL2177742)
Show SMILES Nc1nnc(CCCCc2csc(NC(=O)Cc3ccccc3)n2)s1
Show InChI InChI=1S/C17H19N5OS2/c18-16-22-21-15(25-16)9-5-4-8-13-11-24-17(19-13)20-14(23)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H2,18,22)(H,19,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400051
PNG
(CHEMBL2177756)
Show SMILES FC(F)(F)c1ccc(CNC(=O)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)cc1
Show InChI InChI=1S/C23H23F3N4O2S/c24-23(25,26)18-12-10-17(11-13-18)15-27-19(31)8-4-5-9-21-29-30-22(33-21)28-20(32)14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,27,31)(H,28,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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))		BDBM50400057
PNG
(CHEMBL2177750)
Show SMILES NCCNC(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C17H23N5O2S/c18-10-11-19-14(23)8-4-5-9-16-21-22-17(25-16)20-15(24)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,18H2,(H,19,23)(H,20,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay

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
* indicates data uncertainty>20%