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Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'katt' and Initial = 'w'   
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))
BDBM50525789
PNG
(CHEMBL4469854)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CC3)s2)s1
Show InChI InChI=1S/C21H23N7O3S2/c29-16(12-13-4-2-1-3-5-13)22-18-25-27-21(33-18)31-15-8-10-28(11-9-15)20-26-24-19(32-20)23-17(30)14-6-7-14/h1-5,14-15H,6-12H2,(H,22,25,29)(H,23,24,30)
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n/an/a 10n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525789
PNG
(CHEMBL4469854)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CC3)s2)s1
Show InChI InChI=1S/C21H23N7O3S2/c29-16(12-13-4-2-1-3-5-13)22-18-25-27-21(33-18)31-15-8-10-28(11-9-15)20-26-24-19(32-20)23-17(30)14-6-7-14/h1-5,14-15H,6-12H2,(H,22,25,29)(H,23,24,30)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525793
PNG
(CHEMBL4436129)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CCC3)s2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(13-14-5-2-1-3-6-14)23-19-26-28-22(34-19)32-16-9-11-29(12-10-16)21-27-25-20(33-21)24-18(31)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13H2,(H,23,26,30)(H,24,25,31)
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n/an/a 17n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525793
PNG
(CHEMBL4436129)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CCC3)s2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(13-14-5-2-1-3-6-14)23-19-26-28-22(34-19)32-16-9-11-29(12-10-16)21-27-25-20(33-21)24-18(31)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13H2,(H,23,26,30)(H,24,25,31)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327976
PNG
(CHEMBL215476 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h2-14,18,21H,15-16,19-20H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525797
PNG
(CHEMBL4524344)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525797
PNG
(CHEMBL4524344)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150108
PNG
(CHEMBL3770617)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)
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n/an/a 29n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525795
PNG
(CHEMBL4459383)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(12-14-4-2-1-3-5-14)24-20-26-28-22(34-20)32-16-8-10-29(11-9-16)21-27-25-19(33-21)23-18(31)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,25,31)(H,24,26,30)
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n/an/a 29n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525795
PNG
(CHEMBL4459383)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H25N7O3S2/c30-17(12-14-4-2-1-3-5-14)24-20-26-28-22(34-20)32-16-8-10-29(11-9-16)21-27-25-19(33-21)23-18(31)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,25,31)(H,24,26,30)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327977
PNG
(CHEMBL379511 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H28N6O2S/c1-34-23-32-20-28(34)22-35(27-14-12-24(19-31)13-15-27)17-18-36(21-25-7-3-2-4-8-25)39(37,38)29-11-5-9-26-10-6-16-33-30(26)29/h2-16,20,23H,17-18,21-22H2,1H3
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Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150109
PNG
(CHEMBL3770355)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327983
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CCn1cccc1
Show InChI InChI=1S/C24H28N8O2S/c1-28-18-24(27-20-28)35(33,34)32(13-11-30-9-3-4-10-30)14-12-31(17-23-16-26-19-29(23)2)22-7-5-21(15-25)6-8-22/h3-10,16,18-20H,11-14,17H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150062
PNG
(CHEMBL3769896)
Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Nc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C22H26N8O2S2/c31-17(12-14-4-2-1-3-5-14)24-20-27-26-19(33-20)23-16-8-10-30(11-9-16)22-29-28-21(34-22)25-18(32)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,26)(H,24,27,31)(H,25,28,32)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149988
PNG
(CHEMBL3770945)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
Show InChI InChI=1S/C25H27BrN6O5S/c1-28-12-13-29-25(35)20(14-23(33)32-22-11-10-18(26)15-30-22)31-24(34)17-8-6-16(7-9-17)19-4-2-3-5-21(19)38(27,36)37/h2-11,15,20,28H,12-14H2,1H3,(H,29,35)(H,31,34)(H2,27,36,37)(H,30,32,33)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149986
PNG
(CHEMBL3770889)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H27BrN6O5S/c1-32(2)15-24(34)30-20(13-23(33)31-22-12-9-17(26)14-28-22)25(35)29-18-10-7-16(8-11-18)19-5-3-4-6-21(19)38(27,36)37/h3-12,14,20H,13,15H2,1-2H3,(H,29,35)(H,30,34)(H2,27,36,37)(H,28,31,33)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149985
PNG
(CHEMBL3769701)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
Show InChI InChI=1S/C21H19ClN4O4S/c22-15-7-10-19(24-13-15)26-21(28)12-11-20(27)25-16-8-5-14(6-9-16)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,25,27)(H2,23,29,30)(H,24,26,28)
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n/an/a 36n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150066
PNG
(CHEMBL3771319)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)N1CCC(CC1)Oc1ccc(NC(=O)Cc2ccccc2)nn1
Show InChI InChI=1S/C27H27N7O3S/c35-23(17-19-7-3-1-4-8-19)28-22-11-12-25(31-30-22)37-21-13-15-34(16-14-21)27-33-32-26(38-27)29-24(36)18-20-9-5-2-6-10-20/h1-12,21H,13-18H2,(H,28,30,35)(H,29,32,36)
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525790
PNG
(CHEMBL4578823)
Show SMILES CC(C)(C)C(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C22H27N7O3S2/c1-22(2,3)17(31)24-19-26-28-21(34-19)32-15-9-11-29(12-10-15)20-27-25-18(33-20)23-16(30)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,25,30)(H,24,26,31)
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n/an/a 38n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525790
PNG
(CHEMBL4578823)
Show SMILES CC(C)(C)C(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C22H27N7O3S2/c1-22(2,3)17(31)24-19-26-28-21(34-19)32-15-9-11-29(12-10-15)20-27-25-18(33-20)23-16(30)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,25,30)(H,24,26,31)
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n/an/a 38n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149984
PNG
(CHEMBL3769593)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
Show InChI InChI=1S/C26H27BrN6O5S/c27-19-9-10-23(30-16-19)32-24(34)15-21(26(36)33-13-11-29-12-14-33)31-25(35)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,37)38/h1-10,16,21,29H,11-15H2,(H,31,35)(H2,28,37,38)(H,30,32,34)
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n/an/a 40n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327974
PNG
(CHEMBL1258797 | N-Benzyl,N-{2-[(4-Cyanophenyl)-(3-...)
Show SMILES CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O2S/c1-3-15-32(30,31)29(18-22-7-5-4-6-8-22)14-13-28(19-24-17-26-20-27(24)2)23-11-9-21(16-25)10-12-23/h4-12,17,20H,3,13-15,18-19H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150111
PNG
(CHEMBL3771020)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CC[C@@H](C2)Nc2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
Show InChI InChI=1S/C25H26N8O2S2/c34-20(13-16-7-3-1-4-8-16)28-24-32-30-22(36-24)26-18-11-12-19(15-18)27-23-31-33-25(37-23)29-21(35)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,26,30)(H,27,31)(H,28,32,34)(H,29,33,35)/t18-,19-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327975
PNG
(CHEMBL215475 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1cccs1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N5O2S2/c1-28-20-27-17-24(28)19-29(23-11-9-21(16-26)10-12-23)13-14-30(18-22-6-3-2-4-7-22)34(31,32)25-8-5-15-33-25/h2-12,15,17,20H,13-14,18-19H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13311
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C26H29N7O2S/c1-21-6-4-5-7-23(21)16-33(36(34,35)26-18-30(2)20-29-26)13-12-32(17-25-15-28-19-31(25)3)24-10-8-22(14-27)9-11-24/h4-11,15,18-20H,12-13,16-17H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327990
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cc1cccc(CN(CCN(Cc2cncn2C)c2ccc(cc2)C#N)S(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C26H29N7O2S/c1-21-5-4-6-23(13-21)16-33(36(34,35)26-18-30(2)20-29-26)12-11-32(17-25-15-28-19-31(25)3)24-9-7-22(14-27)8-10-24/h4-10,13,15,18-20H,11-12,16-17H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327979
PNG
(1-methyl-1H-imidazole-4-sulfonic acid allyl-{2-[(4...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC=C
Show InChI InChI=1S/C21H25N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h4-8,13,15-17H,1,9-11,14H2,2-3H3
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n/an/a 54n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13307
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h3-11,15,18-20H,12-13,16-17H2,1-2H3
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n/an/a 56n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13315
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1
Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149983
PNG
(CHEMBL3769936)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C27H28BrN5O5S/c28-19-13-14-24(30-16-19)33-25(34)15-22(27(36)31-20-5-1-2-6-20)32-26(35)18-11-9-17(10-12-18)21-7-3-4-8-23(21)39(29,37)38/h3-4,7-14,16,20,22H,1-2,5-6,15H2,(H,31,36)(H,32,35)(H2,29,37,38)(H,30,33,34)
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n/an/a 60n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50134041
PNG
(CHEMBL1256439)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1F)C#N)CC1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C28H33FN10O2S/c1-35-19-27(34-21-35)42(40,41)39(17-22-6-10-37(11-7-22)28-32-8-3-9-33-28)13-12-38(18-24-16-31-20-36(24)2)26-5-4-23(15-30)14-25(26)29/h3-5,8-9,14,16,19-22H,6-7,10-13,17-18H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327985
PNG
(CHEMBL452319 | N-(2-((4-cyanophenyl)((1-methyl-1H-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccsc1
Show InChI InChI=1S/C23H25N7O2S2/c1-27-15-23(26-18-27)34(31,32)30(13-20-7-10-33-16-20)9-8-29(14-22-12-25-17-28(22)2)21-5-3-19(11-24)4-6-21/h3-7,10,12,15-18H,8-9,13-14H2,1-2H3
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n/an/a 67n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327974
PNG
(CHEMBL1258797 | N-Benzyl,N-{2-[(4-Cyanophenyl)-(3-...)
Show SMILES CCCS(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O2S/c1-3-15-32(30,31)29(18-22-7-5-4-6-8-22)14-13-28(19-24-17-26-20-27(24)2)23-11-9-21(16-25)10-12-23/h4-12,17,20H,3,13-15,18-19H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150110
PNG
(CHEMBL3771098)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327982
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccncc1
Show InChI InChI=1S/C24H26N8O2S/c1-29-17-24(28-19-29)35(33,34)32(15-21-7-9-26-10-8-21)12-11-31(16-23-14-27-18-30(23)2)22-5-3-20(13-25)4-6-22/h3-10,14,17-19H,11-12,15-16H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327992
PNG
(1-methyl-1H-imidazole-4-sulfonic acid (3-cyanobenz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H26N8O2S/c1-31-18-26(30-20-31)37(35,36)34(16-23-5-3-4-22(12-23)14-28)11-10-33(17-25-15-29-19-32(25)2)24-8-6-21(13-27)7-9-24/h3-9,12,15,18-20H,10-11,16-17H2,1-2H3
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n/an/a 78n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50133900
PNG
(CHEMBL1258798)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)C1CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H27N5O2S/c1-27-19-26-16-23(27)18-28(22-9-7-20(15-25)8-10-22)13-14-29(32(30,31)24-11-12-24)17-21-5-3-2-4-6-21/h2-10,16,19,24H,11-14,17-18H2,1H3
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n/an/a 85n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327998
PNG
(CHEMBL1258350 | N-(2-((4-cyano-2-fluorophenyl)((1-...)
Show SMILES Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H31FN6O2S/c1-31-20-29-17-23(31)19-32(25-11-10-22(16-28)15-24(25)27)13-14-33(18-21-7-3-2-4-8-21)36(34,35)26-9-5-6-12-30-26/h5-6,9-12,15,17,20-21H,2-4,7-8,13-14,18-19H2,1H3
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n/an/a 89n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50327976
PNG
(CHEMBL215476 | N-benzyl-N-(2-((4-cyanophenyl)((1-m...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26N6O2S/c1-30-21-28-18-25(30)20-31(24-12-10-22(17-27)11-13-24)15-16-32(19-23-7-3-2-4-8-23)35(33,34)26-9-5-6-14-29-26/h2-14,18,21H,15-16,19-20H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50150705
PNG
(CHEMBL3770102)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(OC2CCN(CC2)c2ccc(NC(=O)Cc3ccccc3)nn2)nn1
Show InChI InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38)
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n/an/a 98n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM13315
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid {2-[(4-Cyano...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1
Show InChI InChI=1S/C25H33N7O2S/c1-29-18-25(28-20-29)35(33,34)32(16-22-6-4-3-5-7-22)13-12-31(17-24-15-27-19-30(24)2)23-10-8-21(14-26)9-11-23/h8-11,15,18-20,22H,3-7,12-13,16-17H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525796
PNG
(CHEMBL4454551)
Show SMILES CCC(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29)
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n/an/a 102n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525796
PNG
(CHEMBL4454551)
Show SMILES CCC(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29)
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n/an/a 103n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50133905
PNG
(CHEMBL1257648)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cn1)C#N)CC1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C27H33N11O2S/c1-34-19-26(33-21-34)41(39,40)38(17-22-6-10-36(11-7-22)27-30-8-3-9-31-27)13-12-37(18-24-16-29-20-35(24)2)25-5-4-23(14-28)15-32-25/h3-5,8-9,15-16,19-22H,6-7,10-13,17-18H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50327980
PNG
(1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyano...)
Show SMILES CC(=C)CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C22H27N7O2S/c1-18(2)13-29(32(30,31)22-15-26(3)17-25-22)10-9-28(14-21-12-24-16-27(21)4)20-7-5-19(11-23)6-8-20/h5-8,12,15-17H,1,9-10,13-14H2,2-4H3
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n/an/a 114n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149992
PNG
(CHEMBL3769897)
Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)
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n/an/a 157n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149992
PNG
(CHEMBL3769897)
Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)
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n/an/a 157n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149992
PNG
(CHEMBL3769897)
Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)
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n/an/a 158n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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