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Compile Data Set for Download or QSAR

Found 153 hits of ic50 data for polymerid = 9578   
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
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402202
PNG
(CHEMBL2203964)
Show SMILES COCCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402204
PNG
(CHEMBL2203978)
Show SMILES COCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C21H19N3O3/c1-27-10-9-23-8-7-16-11-18(14-22-21(16)23)19-12-17(13-20(25)24(19)26)15-5-3-2-4-6-15/h2-8,11-14,26H,9-10H2,1H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402206
PNG
(CHEMBL2203976)
Show SMILES NC(=O)c1cccc(Cn2ccc3cc(cnc23)-c2cc(cc(=O)n2O)-c2ccccc2)c1
Show InChI InChI=1S/C26H20N4O3/c27-25(32)19-8-4-5-17(11-19)16-29-10-9-20-12-22(15-28-26(20)29)23-13-21(14-24(31)30(23)33)18-6-2-1-3-7-18/h1-15,33H,16H2,(H2,27,32)
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402207
PNG
(CHEMBL2203975)
Show SMILES On1c(cc(cc1=O)-c1ccccc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H14N2O2/c22-19-12-16(13-4-2-1-3-5-13)11-18(21(19)23)15-6-7-17-14(10-15)8-9-20-17/h1-12,20,23H
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402203
PNG
(CHEMBL2203963)
Show SMILES COCCn1ccc2cc(ccc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-27-12-11-23-10-9-18-13-17(7-8-20(18)23)21-14-19(15-22(25)24(21)26)16-5-3-2-4-6-16/h2-10,13-15,26H,11-12H2,1H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402208
PNG
(CHEMBL2203974)
Show SMILES On1c(cc(cc1=O)-c1ccccc1)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C18H13N3O2/c22-17-10-14(12-4-2-1-3-5-12)9-16(21(17)23)15-8-13-6-7-19-18(13)20-11-15/h1-11,23H,(H,19,20)
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402201
PNG
(CHEMBL2203965)
Show SMILES COCCCn1ccc2cc(ccc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C23H22N2O3/c1-28-13-5-11-24-12-10-19-14-18(8-9-21(19)24)22-15-20(16-23(26)25(22)27)17-6-3-2-4-7-17/h2-4,6-10,12,14-16,27H,5,11,13H2,1H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402200
PNG
(CHEMBL2203966)
Show SMILES CCCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C22H21N3O2/c1-2-3-10-24-11-9-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-7-5-4-6-8-16/h4-9,11-15,27H,2-3,10H2,1H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517468
PNG
(CHEMBL4559294)
Show SMILES Clc1cccc(c1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C20H14ClN3O2S/c21-15-6-3-5-14(13-15)16-9-10-18(20-17(16)7-4-12-23-20)24-27(25,26)19-8-1-2-11-22-19/h1-13,24H
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517488
PNG
(CHEMBL4516514)
Show SMILES COc1cc(CCc2cc(NS(=O)(=O)c3ccccn3)c3ncccc3c2)cc(OC)c1
Show InChI InChI=1S/C24H23N3O4S/c1-30-20-13-18(14-21(16-20)31-2)9-8-17-12-19-6-5-11-26-24(19)22(15-17)27-32(28,29)23-7-3-4-10-25-23/h3-7,10-16,27H,8-9H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402205
PNG
(CHEMBL2203977)
Show SMILES NC(=O)c1cccc(Cn2ccc3cc(ccc23)-c2cc(cc(=O)n2O)-c2ccccc2)c1
Show InChI InChI=1S/C27H21N3O3/c28-27(32)22-8-4-5-18(13-22)17-29-12-11-21-14-20(9-10-24(21)29)25-15-23(16-26(31)30(25)33)19-6-2-1-3-7-19/h1-16,33H,17H2,(H2,28,32)
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517469
PNG
(CHEMBL4543065)
Show SMILES Clc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C20H14ClN3O2S/c21-15-8-6-14(7-9-15)16-10-11-18(20-17(16)4-3-13-23-20)24-27(25,26)19-5-1-2-12-22-19/h1-13,24H
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517474
PNG
(CHEMBL4539074)
Show SMILES O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1ccccn1
Show InChI InChI=1S/C20H15N3O2S/c24-26(25,19-10-4-5-13-21-19)23-18-12-11-16(15-7-2-1-3-8-15)17-9-6-14-22-20(17)18/h1-14,23H
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402199
PNG
(CHEMBL2203967)
Show SMILES CCCCCn1ccc2cc(cnc12)-c1cc(cc(=O)n1O)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2/c1-2-3-7-11-25-12-10-18-13-20(16-24-23(18)25)21-14-19(15-22(27)26(21)28)17-8-5-4-6-9-17/h4-6,8-10,12-16,28H,2-3,7,11H2,1H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517465
PNG
(CHEMBL4457949)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C20H13Cl2N3O2S/c21-16-8-6-13(12-17(16)22)14-7-9-18(20-15(14)4-3-11-24-20)25-28(26,27)19-5-1-2-10-23-19/h1-12,25H
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 560n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mi...

Bioorg Med Chem Lett 21: 4337-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.046
BindingDB Entry DOI: 10.7270/Q2WW7J38
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system

Bioorg Med Chem 16: 3969-75 (2008)


Article DOI: 10.1016/j.bmc.2008.01.031
BindingDB Entry DOI: 10.7270/Q2Z037XF
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517466
PNG
(CHEMBL4571524)
Show SMILES COc1ccc(cc1Cl)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C21H16ClN3O3S/c1-28-19-10-7-14(13-17(19)22)15-8-9-18(21-16(15)5-4-12-24-21)25-29(26,27)20-6-2-3-11-23-20/h2-13,25H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517473
PNG
(CHEMBL4573731)
Show SMILES COc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C21H17N3O3S/c1-27-16-9-7-15(8-10-16)17-11-12-19(21-18(17)5-4-14-23-21)24-28(25,26)20-6-2-3-13-22-20/h2-14,24H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517471
PNG
(CHEMBL4466017)
Show SMILES Fc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C20H14FN3O2S/c21-15-8-6-14(7-9-15)16-10-11-18(20-17(16)4-3-13-23-20)24-27(25,26)19-5-1-2-12-22-19/h1-13,24H
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TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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n/an/a 760n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged GLO1 expressed in baculovirus infected sf21 cells assessed as reduction in S-D-lactoylglutathione formatio...

Bioorg Med Chem Lett 27: 1169-1174 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.070
BindingDB Entry DOI: 10.7270/Q29W0HQ0
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517437
PNG
(CHEMBL4514413)
Show SMILES O=S(=O)(Nc1ccc(CCc2ccccc2)c2cccnc12)c1ccccn1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,21-10-4-5-15-23-21)25-20-14-13-18(19-9-6-16-24-22(19)20)12-11-17-7-2-1-3-8-17/h1-10,13-16,25H,11-12H2
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517463
PNG
(CHEMBL4532036)
Show SMILES Fc1ccc(CCc2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1
Show InChI InChI=1S/C22H18FN3O2S/c23-18-11-7-16(8-12-18)6-9-17-10-13-20(22-19(17)4-3-15-25-22)26-29(27,28)21-5-1-2-14-24-21/h1-5,7-8,10-15,26H,6,9H2
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517467
PNG
(CHEMBL4580349)
Show SMILES COc1cccc(c1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C21H17N3O3S/c1-27-16-7-4-6-15(14-16)17-10-11-19(21-18(17)8-5-13-23-21)24-28(25,26)20-9-2-3-12-22-20/h2-14,24H,1H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50560159
PNG
(CHEMBL4752509)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)\N=N\c1cc(C(O)=O)c(O)c2ccccc12
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n/an/a 1.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115608
BindingDB Entry DOI: 10.7270/Q2C53QJR
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402215
PNG
(CHEMBL1624076)
Show SMILES On1c(cc(cc1=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H13NO2/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14/h1-12,20H
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n/an/a 1.19E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517461
PNG
(CHEMBL4575972)
Show SMILES COc1cc(OC)cc(c1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12
Show InChI InChI=1S/C22H19N3O4S/c1-28-16-12-15(13-17(14-16)29-2)18-8-9-20(22-19(18)6-5-11-24-22)25-30(26,27)21-7-3-4-10-23-21/h3-14,25H,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50241121
PNG
((S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethyla...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517462
PNG
(CHEMBL4467660)
Show SMILES O=S(=O)(Nc1cc(CCc2ccccc2)cc2cccnc12)c1ccccn1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,21-10-4-5-13-23-21)25-20-16-18(12-11-17-7-2-1-3-8-17)15-19-9-6-14-24-22(19)20/h1-10,13-16,25H,11-12H2
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n/an/a 1.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50560166
PNG
(CHEMBL4799336)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=N\c1cc(C(O)=O)c(O)c2ccccc12
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115608
BindingDB Entry DOI: 10.7270/Q2C53QJR
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50560150
PNG
(CHEMBL4779039)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)\N=N\c1ccc(O)c2ncccc12
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n/an/a 1.28E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115608
BindingDB Entry DOI: 10.7270/Q2C53QJR
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517483
PNG
(CHEMBL3981698)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccccn1
Show InChI InChI=1S/C14H11N3O2S/c18-20(19,13-8-1-2-9-15-13)17-12-7-3-5-11-6-4-10-16-14(11)12/h1-10,17H
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517489
PNG
(CHEMBL4454726)
Show SMILES Fc1ccc(CCc2cc(NS(=O)(=O)c3ccccn3)c3ncccc3c2)cc1
Show InChI InChI=1S/C22H18FN3O2S/c23-19-10-8-16(9-11-19)6-7-17-14-18-4-3-13-25-22(18)20(15-17)26-29(27,28)21-5-1-2-12-24-21/h1-5,8-15,26H,6-7H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50560167
PNG
(CHEMBL4749730)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=N\c1ccc(O)c2ncccc12
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n/an/a 1.36E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115608
BindingDB Entry DOI: 10.7270/Q2C53QJR
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50402214
PNG
(CHEMBL2203968)
Show SMILES On1c(cc(cc1=O)-c1ccsc1)-c1ccccc1
Show InChI InChI=1S/C15H11NO2S/c17-15-9-13(12-6-7-19-10-12)8-14(16(15)18)11-4-2-1-3-5-11/h1-10,18H
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n/an/a 1.52E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's meth...

Bioorg Med Chem Lett 22: 7486-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.045
BindingDB Entry DOI: 10.7270/Q2RX9D8Q
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50326997
PNG
(CHEMBL590878 | Delphinidin)
Show SMILES Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,16,18-21H/p+1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human recombinant glyoxalase 1 assessed as S-D-lactoylglutathione after 15 mins by spectrophotometric analysis

Bioorg Med Chem 18: 7029-33 (2010)


Article DOI: 10.1016/j.bmc.2010.08.012
BindingDB Entry DOI: 10.7270/Q2PC32K6
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50355547
PNG
(CHEMBL1910548)
Show SMILES COc1ccc(\C=C(\CC(O)=O)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mi...

Bioorg Med Chem Lett 21: 4337-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.046
BindingDB Entry DOI: 10.7270/Q2WW7J38
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569120
PNG
(CHEMBL4861582)
Show SMILES COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569128
PNG
(CHEMBL4853249)
Show SMILES COC(=O)Cc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569133
PNG
(CHEMBL4875229)
Show SMILES CCOc1cc(\C=C(/CC(O)=O)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569134
PNG
(CHEMBL4863408)
Show SMILES Cc1nn(C2CCS(=O)(=O)C2)c(C)c1\C=C(/CC(O)=O)c1nc2ccccc2[nH]1
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569131
PNG
(CHEMBL4852940)
Show SMILES OC(=O)C\C(=C/c1cc2OCOc2c(Br)c1)c1nc2ccccc2s1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system

Bioorg Med Chem 16: 3969-75 (2008)


Article DOI: 10.1016/j.bmc.2008.01.031
BindingDB Entry DOI: 10.7270/Q2Z037XF
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569129
PNG
(CHEMBL4851336)
Show SMILES OC(=O)C\C(=C/c1ccc2ccccc2c1)c1nc2ccccc2s1
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569125
PNG
(CHEMBL4871220)
Show SMILES COC(=O)c1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 3.38E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substra...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115608
BindingDB Entry DOI: 10.7270/Q2C53QJR
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50569130
PNG
(CHEMBL1303934)
Show SMILES OC(=O)C\C(=C/c1ccc2OCOc2c1)c1nc2ccccc2s1
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517447
PNG
(CHEMBL3392484)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H14N2O2S/c22-24(23,17-11-10-14-5-1-2-6-16(14)13-17)21-18-9-3-7-15-8-4-12-20-19(15)18/h1-13,21H
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50560173
PNG
(CHEMBL4747412)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)\N=N\c1ccc(N)c2ccc(O)cc12
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n/an/a 3.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using methylglyoxal and reduced glutathione as...

Citation and Details

Article DOI: 10.1016/j.bmc.2020.115608
BindingDB Entry DOI: 10.7270/Q2C53QJR
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50517446
PNG
(CHEMBL4582242)
Show SMILES CSc1nc2ccc(cc2s1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2S3/c1-23-17-19-13-8-7-12(10-15(13)24-17)25(21,22)20-14-6-2-4-11-5-3-9-18-16(11)14/h2-10,20H,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
BindingDB Entry DOI: 10.7270/Q2251NJC
More data for this
Ligand-Target Pair
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