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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50008284   
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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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human GLO1


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
3D
3D Structure (crystal)
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50092825
PNG
(CHEMBL128935 | S-(N-phenyl-N-hydroxycarbamoyl)glut...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C17H22N4O8S/c18-11(16(26)27)6-7-13(22)20-12(15(25)19-8-14(23)24)9-30-17(28)21(29)10-4-2-1-3-5-10/h1-5,11-12,29H,6-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12-/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human GLO1


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))
BDBM50517464
PNG
(CHEMBL1234300)
Show SMILES COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O
Show InChI InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human GLO1


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
3D
3D Structure (crystal)
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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n/an/a 370n/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))
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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n/an/a 460n/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))
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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n/an/a 480n/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))
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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n/an/a 500n/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))
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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n/an/a 540n/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))
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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n/an/a 590n/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))
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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n/an/a 640n/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))
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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n/an/a 720n/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))
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))
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))
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))
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))
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))
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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50517481
PNG
(CHEMBL4440697)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H11N3O2S2/c20-23(21,12-6-7-13-15(9-12)22-10-18-13)19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19H
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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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50517450
PNG
(CHEMBL4444789)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C19H20N2O2S/c1-19(2,3)15-9-11-16(12-10-15)24(22,23)21-17-8-4-6-14-7-5-13-20-18(14)17/h4-13,21H,1-3H3
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n/an/a 4.20E+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))
BDBM50517444
PNG
(CHEMBL4582717)
Show SMILES O=S(=O)(CCCc1ccccc1)Nc1cccc2cccnc12
Show InChI InChI=1S/C18H18N2O2S/c21-23(22,14-6-9-15-7-2-1-3-8-15)20-17-12-4-10-16-11-5-13-19-18(16)17/h1-5,7-8,10-13,20H,6,9,14H2
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n/an/a 4.60E+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))
BDBM50372518
PNG
(CHEMBL257234)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1cccs1
Show InChI InChI=1S/C13H10N2O2S2/c16-19(17,12-7-3-9-18-12)15-11-6-1-4-10-5-2-8-14-13(10)11/h1-9,15H
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n/an/a 4.90E+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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50517485
PNG
(CHEMBL4547694)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C13H12N4O2S/c1-17-8-12(15-9-17)20(18,19)16-11-6-2-4-10-5-3-7-14-13(10)11/h2-9,16H,1H3
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n/an/a 5.50E+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))
BDBM50517449
PNG
(CHEMBL4571585)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H10F2N2O2S/c16-12-7-6-11(9-13(12)17)22(20,21)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H
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n/an/a 5.70E+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))
BDBM50517482
PNG
(CHEMBL4468491)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H12N2O4S/c19-23(20,12-6-7-14-15(9-12)22-10-21-14)18-13-5-1-3-11-4-2-8-17-16(11)13/h1-9,18H,10H2
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n/an/a 6.10E+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))
BDBM50517442
PNG
(CHEMBL4465108)
Show SMILES CS(=O)(=O)Nc1ccc(-c2ccc(Cl)cc2)c2cccnc12
Show InChI InChI=1S/C16H13ClN2O2S/c1-22(20,21)19-15-9-8-13(11-4-6-12(17)7-5-11)14-3-2-10-18-16(14)15/h2-10,19H,1H3
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n/an/a 6.20E+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))
BDBM50517452
PNG
(CHEMBL4471411)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O2S/c17-11-12-6-8-14(9-7-12)22(20,21)19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19H
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n/an/a 6.60E+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))
BDBM50517448
PNG
(CHEMBL4530675)
Show SMILES O=C1Cc2cc(ccc2N1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O3S/c21-16-10-12-9-13(6-7-14(12)19-16)24(22,23)20-15-5-1-3-11-4-2-8-18-17(11)15/h1-9,20H,10H2,(H,19,21)
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n/an/a 6.60E+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))
BDBM50517454
PNG
(CHEMBL3948213)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H14N2O3S/c1-21-13-7-3-8-14(11-13)22(19,20)18-15-9-2-5-12-6-4-10-17-16(12)15/h2-11,18H,1H3
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n/an/a 6.90E+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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50277834
PNG
(CHEMBL3392552)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H14N2O3S/c1-21-13-7-9-14(10-8-13)22(19,20)18-15-6-2-4-12-5-3-11-17-16(12)15/h2-11,18H,1H3
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n/an/a 7.00E+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))
BDBM50517453
PNG
(CHEMBL3966573)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1cccc(c1)C#N
Show InChI InChI=1S/C16H11N3O2S/c17-11-12-4-1-7-14(10-12)22(20,21)19-15-8-2-5-13-6-3-9-18-16(13)15/h1-10,19H
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n/an/a 7.30E+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))
BDBM50517477
PNG
(CHEMBL397804)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H11FN2O2S/c16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H
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n/an/a 7.50E+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))
BDBM50517438
PNG
(CHEMBL4562864)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H14N2O2S/c19-21(20,12-13-6-2-1-3-7-13)18-15-10-4-8-14-9-5-11-17-16(14)15/h1-11,18H,12H2
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n/an/a 7.60E+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))
BDBM50227494
PNG
(CHEMBL257286 | N-(quinolin-8-yl)benzenesulfonamide...)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccccc1
Show InChI InChI=1S/C15H12N2O2S/c18-20(19,13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H
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n/an/a 8.50E+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))
BDBM50517445
PNG
(CHEMBL4586764)
Show SMILES O=S(=O)(CCc1ccccc1)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H16N2O2S/c20-22(21,13-11-14-6-2-1-3-7-14)19-16-10-4-8-15-9-5-12-18-17(15)16/h1-10,12,19H,11,13H2
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n/an/a 8.70E+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))
BDBM50517451
PNG
(CHEMBL3941648)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1cccnc1
Show InChI InChI=1S/C14H11N3O2S/c18-20(19,12-6-3-8-15-10-12)17-13-7-1-4-11-5-2-9-16-14(11)13/h1-10,17H
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n/an/a 1.12E+4n/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))
BDBM50517470
PNG
(CHEMBL4448798)
Show SMILES CS(=O)(=O)Nc1ccc(-c2ccc3OCOc3c2)c2cccnc12
Show InChI InChI=1S/C17H14N2O4S/c1-24(20,21)19-14-6-5-12(13-3-2-8-18-17(13)14)11-4-7-15-16(9-11)23-10-22-15/h2-9,19H,10H2,1H3
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n/an/a 1.12E+4n/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))
BDBM50517480
PNG
(CHEMBL3633431)
Show SMILES CS(=O)(=O)Nc1ccc(-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C16H14N2O2S/c1-21(19,20)18-15-10-9-13(12-6-3-2-4-7-12)14-8-5-11-17-16(14)15/h2-11,18H,1H3
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n/an/a 1.15E+4n/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))
BDBM50517479
PNG
(CHEMBL4569197)
Show SMILES CS(=O)(=O)Nc1ccc(-c2ccco2)c2cccnc12
Show InChI InChI=1S/C14H12N2O3S/c1-20(17,18)16-12-7-6-10(13-5-3-9-19-13)11-4-2-8-15-14(11)12/h2-9,16H,1H3
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n/an/a 1.19E+4n/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))
BDBM50517441
PNG
(CHEMBL4551803)
Show SMILES CS(=O)(=O)Nc1ccc(-c2ccc(F)c(F)c2)c2cccnc12
Show InChI InChI=1S/C16H12F2N2O2S/c1-23(21,22)20-15-7-5-11(12-3-2-8-19-16(12)15)10-4-6-13(17)14(18)9-10/h2-9,20H,1H3
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n/an/a 1.39E+4n/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))
BDBM58565
PNG
(MLS001125540 | N-(2-methyl-8-quinolinyl)benzenesul...)
Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
Show InChI InChI=1S/C16H14N2O2S/c1-12-10-11-13-6-5-9-15(16(13)17-12)18-21(19,20)14-7-3-2-4-8-14/h2-11,18H,1H3
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n/an/a 1.45E+4n/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))
BDBM50517490
PNG
(CHEMBL4593835)
Show SMILES CS(=O)(=O)Nc1ccc(-c2cccs2)c2cccnc12
Show InChI InChI=1S/C14H12N2O2S2/c1-20(17,18)16-12-7-6-10(13-5-3-9-19-13)11-4-2-8-15-14(11)12/h2-9,16H,1H3
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n/an/a 1.54E+4n/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))
BDBM50277922
PNG
(CHEMBL1235568)
Show SMILES CS(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
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n/an/a 1.85E+4n/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))
BDBM50517439
PNG
(CHEMBL4456581)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc(cn1)N1CCOCC1
Show InChI InChI=1S/C18H18N4O3S/c23-26(24,21-16-5-1-3-14-4-2-8-19-18(14)16)17-7-6-15(13-20-17)22-9-11-25-12-10-22/h1-8,13,21H,9-12H2
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n/an/a>2.00E+4n/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))
BDBM50517456
PNG
(CHEMBL4457488)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C15H18N2O2S/c18-20(19,13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h4-7,10-11,13,17H,1-3,8-9H2
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n/an/a>2.00E+4n/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))
BDBM50517476
PNG
(CHEMBL3633442)
Show SMILES CS(=O)(=O)Nc1ccc(-c2ccncc2)c2cccnc12
Show InChI InChI=1S/C15H13N3O2S/c1-21(19,20)18-14-5-4-12(11-6-9-16-10-7-11)13-3-2-8-17-15(13)14/h2-10,18H,1H3
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n/an/a>2.00E+4n/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))
BDBM50517458
PNG
(CHEMBL4454390)
Show SMILES CC(C)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C12H14N2O2S/c1-9(2)17(15,16)14-11-7-3-5-10-6-4-8-13-12(10)11/h3-9,14H,1-2H3
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n/an/a>2.00E+4n/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))
BDBM50517443
PNG
(CHEMBL4482863)
Show SMILES CS(=O)(=O)Nc1ccc(-c2cncnc2)c2cccnc12
Show InChI InChI=1S/C14H12N4O2S/c1-21(19,20)18-13-5-4-11(10-7-15-9-16-8-10)12-3-2-6-17-14(12)13/h2-9,18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/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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