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PubMed code 23122816

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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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n/an/a 14n/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))		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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n/an/a 40n/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))		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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n/an/a 260n/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))		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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n/an/a 280n/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))		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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n/an/a 300n/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))		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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n/an/a 300n/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))		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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n/an/a 480n/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))		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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n/an/a 510n/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))		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))		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))		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))		BDBM50402212
PNG
(CHEMBL2203970)
Show SMILES On1c(cc(cc1=O)-c1ccc(cc1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C18H12F3NO2/c19-18(20,21)15-8-6-12(7-9-15)14-10-16(22(24)17(23)11-14)13-4-2-1-3-5-13/h1-11,24H
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n/an/a 8.13E+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))		BDBM50402213
PNG
(CHEMBL2203969)
Show SMILES On1c(cc(cc1=O)-c1cccnc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-16-10-14(13-7-4-8-17-11-13)9-15(18(16)20)12-5-2-1-3-6-12/h1-11,20H
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n/an/a 8.28E+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))		BDBM50402211
PNG
(CHEMBL2203971)
Show SMILES On1c(cc(cc1=O)-c1ccc(cc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO2/c25-23-16-21(15-22(24(23)26)20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,26H
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n/an/a 8.40E+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))		BDBM50402210
PNG
(CHEMBL2203972)
Show SMILES CCC#Cc1cc(-c2ccccc2)n(O)c(=O)c1
Show InChI InChI=1S/C15H13NO2/c1-2-3-7-12-10-14(16(18)15(17)11-12)13-8-5-4-6-9-13/h4-6,8-11,18H,2H2,1H3
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n/an/a>1.00E+4n/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))		BDBM50402209
PNG
(CHEMBL2203973)
Show SMILES CCCCc1cc(-c2ccccc2)n(O)c(=O)c1
Show InChI InChI=1S/C15H17NO2/c1-2-3-7-12-10-14(16(18)15(17)11-12)13-8-5-4-6-9-13/h4-6,8-11,18H,2-3,7H2,1H3
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%