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Compile Data Set for Download or QSAR

Found 38 hits of ic50 data for polymerid = 50000521   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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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n/an/a 250n/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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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 human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50326997
PNG
(CHEMBL590878 | DELPHINIDIN | 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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50069024
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-3-(hydroxy-...)
Show SMILES CN(O)C(=O)CCC(NC(=O)CCC([NH3+])C([O-])=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C13H22N4O8/c1-17(25)10(19)5-3-8(12(22)15-6-11(20)21)16-9(18)4-2-7(14)13(23)24/h7-8,25H,2-6,14H2,1H3,(H,15,22)(H,16,18)(H,20,21)(H,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I, activity is determined with 0.5 mM substrate


Bioorg Med Chem Lett 8: 705-10 (1999)

More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 7.70E+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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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
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 8.20E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I, activity i determined with 0.5 mM substrate


Bioorg Med Chem Lett 8: 705-10 (1999)

More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 1.10E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glyoxalase I


(Homo sapiens)
BDBM50241503
PNG
(2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopy...)
Show SMILES Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,16-17,19-20H/p+1
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n/an/a 1.17E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50326998
PNG
(CHEMBL591036 | PELARGONIDIN | Pelargonidin)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(=[OH+])c2cc1O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7,16-17,19H/p+1
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n/an/a 1.64E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 2.06E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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
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 2.30E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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
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 3.32E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
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
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 3.32E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50355548
PNG
(CHEMBL1910549)
Show SMILES COc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C17H17NO4S/c1-22-11-8-6-10(7-9-11)15(19)18-16-14(17(20)21)12-4-2-3-5-13(12)23-16/h6-9H,2-5H2,1H3,(H,18,19)(H,20,21)
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n/an/a 5.46E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM62042
PNG
(2-(p-anisoylamino)benzoic acid | 2-[(4-methoxybenz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C15H13NO4/c1-20-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
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n/an/a 9.32E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50069026
PNG
(2-Amino-4-[1-(ethoxycarbonylmethyl-carbamoyl)-3-(h...)
Show SMILES CCOC(=O)CNC(=O)C(CCC(=O)N(C)O)NC(=O)CCC([NH3+])C([O-])=O
Show InChI InChI=1S/C15H26N4O8/c1-3-27-13(22)8-17-14(23)10(5-7-12(21)19(2)26)18-11(20)6-4-9(16)15(24)25/h9-10,26H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,24,25)
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n/an/a 1.41E+5n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I, activity is determined with 0.5 mM substrate


Bioorg Med Chem Lett 8: 705-10 (1999)

More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50069025
PNG
(2-Amino-4-[1-(carboxymethyl-carbamoyl)-3-hydroxyca...)
Show SMILES [NH3+]C(CCC(=O)NC(CCC(=O)NO)C(=O)NCC(O)=O)C([O-])=O
Show InChI InChI=1S/C12H20N4O8/c13-6(12(22)23)1-3-8(17)15-7(2-4-9(18)16-24)11(21)14-5-10(19)20/h6-7,24H,1-5,13H2,(H,14,21)(H,15,17)(H,16,18)(H,19,20)(H,22,23)
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n/an/a 2.10E+5n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I, activity is determined with 0.5 mM substrate


Bioorg Med Chem Lett 8: 705-10 (1999)

More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens)
BDBM50069027
PNG
(2-Amino-4-[1-(ethoxycarbonylmethyl-carbamoyl)-3-hy...)
Show SMILES CCOC(=O)CNC(=O)C(CCC(=O)NO)NC(=O)CCC([NH3+])C([O-])=O
Show InChI InChI=1S/C14H24N4O8/c1-2-26-12(21)7-16-13(22)9(4-6-11(20)18-25)17-10(19)5-3-8(15)14(23)24/h8-9,25H,2-7,15H2,1H3,(H,16,22)(H,17,19)(H,18,20)(H,23,24)
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n/an/a 1.62E+6n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I, activity i determined with 0.5 mM substrate


Bioorg Med Chem Lett 8: 705-10 (1999)

More data for this
Ligand-Target Pair