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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 50007379   
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 liver isoform, mitochondrial


(Homo sapiens)
BDBM50238194
PNG
(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-
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n/an/a 102n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238195
PNG
(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-
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n/an/a 261n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238197
PNG
(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-
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n/an/a 269n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238198
PNG
(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-
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n/an/a 787n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238209
PNG
(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-
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n/an/a 1.03E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238210
PNG
(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-
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n/an/a 1.19E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238205
PNG
(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-
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n/an/a 1.19E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238201
PNG
(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-
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n/an/a 1.19E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238200
PNG
(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-
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n/an/a 1.24E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238199
PNG
(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-
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n/an/a 1.72E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238196
PNG
(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-
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n/an/a 2.14E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238207
PNG
(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-
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n/an/a 3.78E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238203
PNG
(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-
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n/an/a 4.19E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238202
PNG
(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-
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n/an/a 5.73E+3n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238204
PNG
(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-
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n/an/a 1.18E+4n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50238206
PNG
(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-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Miaoli 35053, Taiwan.

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)

More data for this
Ligand-Target Pair