Found 41 hits Enz. Inhib. hit(s) with Target = 'Glutaminase liver isoform, mitochondrial' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238194
(CHEMBL4080388)Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2cccs2)n(c1-c1cccs1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C32H19N3O4S4/c36-29-26(42-31(38)33-29)15-18-5-7-19(8-6-18)20-9-11-22(12-10-20)35-23(24-3-1-13-40-24)16-21(28(35)25-4-2-14-41-25)17-27-30(37)34-32(39)43-27/h1-17H,(H,33,36,38)(H,34,37,39)/b26-15-,27-17- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50531311
(CHEMBL4452796)Show SMILES CCCCCCCCCCC[C@H](CC1=CC(O)C=C(OC)C1O)OC(C)=O |r,t:13,17| Show InChI InChI=1S/C22H38O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,19-20,22,24-25H,4-13,15H2,1-3H3/t19?,20-,22?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 1096-1115 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00961
BindingDB Entry DOI: 10.7270/Q2NG4V40 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238195
(CHEMBL4090687)Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2ccccc2)n(c1-c1ccccc1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C36H23N3O4S2/c40-33-30(44-35(42)37-33)19-22-11-13-23(14-12-22)24-15-17-28(18-16-24)39-29(25-7-3-1-4-8-25)20-27(21-31-34(41)38-36(43)45-31)32(39)26-9-5-2-6-10-26/h1-21H,(H,37,40,42)(H,38,41,43)/b30-19-,31-21- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238197
(CHEMBL4082885)Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50531313
(CHEMBL4552664)Show SMILES CCCCCCCCCCCCCC(CC1=CC(=O)C=C(OC)C1=O)OC(C)=O |t:15,19| Show InChI InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 1096-1115 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00961
BindingDB Entry DOI: 10.7270/Q2NG4V40 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50531314
(CHEMBL4472618)Show SMILES CCCCCCCCCCC[C@H](CC1=CC(=O)C=C(OC)C1=O)OC(C)=O |r,t:13,17| Show InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3/t20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 1096-1115 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00961
BindingDB Entry DOI: 10.7270/Q2NG4V40 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238198
(CHEMBL4061000)Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 787 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238209
(CHEMBL4072390)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C28H23N3O4S2/c1-4-17-12-19(5-6-20(17)13-23-25(32)29-27(34)36-23)18-7-9-22(10-8-18)31-15(2)11-21(16(31)3)14-24-26(33)30-28(35)37-24/h5-14H,4H2,1-3H3,(H,29,32,34)(H,30,33,35)/b23-13-,24-14- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238210
(CHEMBL4065595)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1C#N)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C29H22N4O4S2/c1-4-17-10-19(6-5-18(17)12-24-26(34)31-28(36)38-24)23-8-7-22(11-21(23)14-30)33-15(2)9-20(16(33)3)13-25-27(35)32-29(37)39-25/h5-13H,4H2,1-3H3,(H,31,34,36)(H,32,35,37)/b24-12-,25-13- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238205
(CHEMBL4098413)Show SMILES Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C26H19N3O4S2/c1-14-11-19(13-22-24(31)28-26(33)35-22)15(2)29(14)20-9-7-18(8-10-20)17-5-3-16(4-6-17)12-21-23(30)27-25(32)34-21/h3-13H,1-2H3,(H,27,30,32)(H,28,31,33)/b21-12-,22-13- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238201
(CHEMBL4065936)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1OC)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C29H25N3O5S2/c1-5-17-11-19(7-6-18(17)12-24-26(33)30-28(35)38-24)22-9-8-21(14-23(22)37-4)32-15(2)10-20(16(32)3)13-25-27(34)31-29(36)39-25/h6-14H,5H2,1-4H3,(H,30,33,35)(H,31,34,36)/b24-12-,25-13- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238200
(CHEMBL4087349)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C38H27N3O4S2/c1-2-23-19-27(13-14-28(23)21-32-35(42)39-37(44)46-32)24-15-17-30(18-16-24)41-31(25-9-5-3-6-10-25)20-29(22-33-36(43)40-38(45)47-33)34(41)26-11-7-4-8-12-26/h3-22H,2H2,1H3,(H,39,42,44)(H,40,43,45)/b32-21-,33-22- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238199
(CHEMBL4099331)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C34H23N3O4S4/c1-2-19-15-21(7-8-22(19)17-28-31(38)35-33(40)44-28)20-9-11-24(12-10-20)37-25(26-5-3-13-42-26)16-23(30(37)27-6-4-14-43-27)18-29-32(39)36-34(41)45-29/h3-18H,2H2,1H3,(H,35,38,40)(H,36,39,41)/b28-17-,29-18- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238196
(CHEMBL4069677)Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C27H21N3O5S2/c1-14-10-18(12-23-25(32)29-27(34)37-23)15(2)30(14)19-8-9-20(21(13-19)35-3)17-6-4-16(5-7-17)11-22-24(31)28-26(33)36-22/h4-13H,1-3H3,(H,28,31,33)(H,29,32,34)/b22-11-,23-12- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238207
(CHEMBL4100814)Show SMILES Brc1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C22H13BrN2O2S3/c23-14-5-7-15(8-6-14)25-16(17-3-1-9-28-17)11-13(20(25)18-4-2-10-29-18)12-19-21(26)24-22(27)30-19/h1-12H,(H,24,26,27)/b19-12- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238203
(CHEMBL4074218)Show SMILES Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C26H18ClN3O4S2/c1-13-9-18(12-22-24(32)29-26(34)36-22)14(2)30(13)19-7-5-15(6-8-19)16-3-4-17(20(27)10-16)11-21-23(31)28-25(33)35-21/h3-12H,1-2H3,(H,28,31,33)(H,29,32,34)/b21-11-,22-12- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Mus musculus) | BDBM108460
(CHEMBL2178393 | US11191732, Example 1 | US8604016,...)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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 liver isoform, mitochondrial
(Homo sapiens) | BDBM50238202
(CHEMBL4087025)Show SMILES Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(c(O)c1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C26H19N3O5S2/c1-13-9-17(11-22-24(32)28-26(34)36-22)14(2)29(13)18-7-8-19(20(30)12-18)16-5-3-15(4-6-16)10-21-23(31)27-25(33)35-21/h3-12,30H,1-2H3,(H,27,31,33)(H,28,32,34)/b21-10-,22-11- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238204
(CHEMBL4074051)Show SMILES Brc1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H17BrN2O2S/c27-20-11-13-21(14-12-20)29-22(17-7-3-1-4-8-17)15-19(16-23-25(30)28-26(31)32-23)24(29)18-9-5-2-6-10-18/h1-16H,(H,28,30,31)/b23-16- | PDB
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| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50531315
(CHEMBL4463619)Show SMILES CCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:13,17| Show InChI InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(21)16-19(23-2)20(17)22/h15-16H,3-14H2,1-2H3 | PDB
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| n/a | n/a | 3.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 1096-1115 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00961
BindingDB Entry DOI: 10.7270/Q2NG4V40 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514977
(CHEMBL4461749)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NCCNc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C22H22N8O2S2/c31-17(13-15-7-3-1-4-8-15)25-21-29-27-19(33-21)23-11-12-24-20-28-30-22(34-20)26-18(32)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,27)(H,24,28)(H,25,29,31)(H,26,30,32) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50400050
(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) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50150109
(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 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514975
(CHEMBL4473143)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(13-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-15-19-11-12-33(16-19)25-32-31-24(37-25)28-21(35)14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)/t19-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514980
(CHEMBL4438255)Show SMILES Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C16H18N8OS2/c17-13-20-23-16(26-13)24-7-6-11(9-24)18-14-21-22-15(27-14)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514987
(CHEMBL4570299)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nncs2)s1 |r| Show InChI InChI=1S/C16H17N7OS2/c24-13(8-11-4-2-1-3-5-11)19-15-21-20-14(26-15)18-12-6-7-23(9-12)16-22-17-10-25-16/h1-5,10,12H,6-9H2,(H,18,20)(H,19,21,24)/t12-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514982
(CHEMBL4469711)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r| Show InChI InChI=1S/C18H19N7OS/c26-16(11-13-5-2-1-3-6-13)21-18-24-23-17(27-18)20-14-8-10-25(12-14)15-7-4-9-19-22-15/h1-7,9,14H,8,10-12H2,(H,20,23)(H,21,24,26)/t14-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514983
(CHEMBL4447951)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1 |r| Show InChI InChI=1S/C17H18N8OS/c26-14(10-12-4-2-1-3-5-12)21-17-24-23-16(27-17)20-13-6-9-25(11-13)15-18-7-8-19-22-15/h1-5,7-8,13H,6,9-11H2,(H,20,23)(H,21,24,26)/t13-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM108512
(US8604016, 72 | US9938267, Cmpd ID 72)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C23H22N6O2S2/c30-18(14-16-8-3-1-4-9-16)24-22-28-26-20(32-22)12-7-13-21-27-29-23(33-21)25-19(31)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,24,28,30)(H,25,29,31) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514976
(CHEMBL4458193)Show SMILES Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C16H18N8OS2/c17-13-20-21-14(26-13)18-11-6-7-24(9-11)16-23-22-15(27-16)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514978
(CHEMBL4451434)Show SMILES CN(CCN(C)c1nnc(NC(=O)Cc2ccccc2)s1)c1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C24H26N8O2S2/c1-31(23-29-27-21(35-23)25-19(33)15-17-9-5-3-6-10-17)13-14-32(2)24-30-28-22(36-24)26-20(34)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,25,27,33)(H,26,28,34) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514989
(CHEMBL4444363)Show SMILES CC(=O)N1CCCCC1CC(=O)Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C25H31N9O3S2/c1-16(35)34-11-6-5-9-19(34)14-21(37)28-24-31-32-25(39-24)33-12-10-18(15-33)26-22-29-30-23(38-22)27-20(36)13-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-15H2,1H3,(H,26,29)(H,27,30,36)(H,28,31,37)/t18-,19?/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514990
(CHEMBL4448931)Show SMILES Nc1nnc(N[C@@H]2CCN(C2)c2ccc(NC(=O)Cc3ccccc3)nn2)s1 |r| Show InChI InChI=1S/C18H20N8OS/c19-17-24-25-18(28-17)20-13-8-9-26(11-13)15-7-6-14(22-23-15)21-16(27)10-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,19,24)(H,20,25)(H,21,22,27)/t13-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514974
(CHEMBL4472367)Show SMILES CC(=O)Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C18H20N8O2S2/c1-11(27)19-15-24-25-18(30-15)26-8-7-13(10-26)20-16-22-23-17(29-16)21-14(28)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,20,22)(H,19,24,27)(H,21,23,28)/t13-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM108464
(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) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50514986
(CHEMBL4437956)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCC[C@H]2Nc2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(14-16-8-3-1-4-9-16)28-24-32-30-22(36-24)26-18-12-7-13-19(18)27-23-31-33-25(37-23)29-21(35)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,30)(H,27,31)(H,28,32,34)(H,29,33,35)/t18-,19-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50531312
(CHEMBL4439275)Show InChI InChI=1S/C14H24O2/c1-3-4-5-6-7-8-12-9-13(15)11-14(10-12)16-2/h9,11,13,15H,3-8,10H2,1-2H3 | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 1096-1115 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00961
BindingDB Entry DOI: 10.7270/Q2NG4V40 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50548670
(CHEMBL4741924)Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r| | PDB
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TBA
| Assay Description
Inhibition of recombinant human GLS2 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50531316
(CHEMBL4550999)Show SMILES CCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O |t:15,19| Show InChI InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-20(23)18-21(25-2)22(19)24/h17-18H,3-16H2,1-2H3 | PDB
UniProtKB/SwissProt
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of GLS2 (unknown origin) |
J Med Chem 62: 1096-1115 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00961
BindingDB Entry DOI: 10.7270/Q2NG4V40 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50238206
(CHEMBL4070276)Show SMILES Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 Show InChI InChI=1S/C16H13BrN2O2S/c1-9-7-11(8-14-15(20)18-16(21)22-14)10(2)19(9)13-5-3-12(17)4-6-13/h3-8H,1-2H3,(H,18,20,21)/b14-8- | PDB
UniProtKB/SwissProt
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preinc... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase liver isoform, mitochondrial
(Homo sapiens) | BDBM50593582
(CHEMBL5179292)Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1 |
More data for this
Ligand-Target Pair | |
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