Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50032890   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336257 (4-(3-fluorobenzylidene)-1,7-bis(4-hydroxy-3-methox...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2cccc(F)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C28H23FO6/c1-34-27-16-18(8-12-25(27)32)6-10-23(30)22(15-20-4-3-5-21(29)14-20)24(31)11-7-19-9-13-26(33)28(17-19)35-2/h3-17,32-33H,1-2H3/b10-6+,11-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336258 (4-(4-fluorobenzylidene)-1,7-bis(4-hydroxy-3-methox...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(F)cc2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C28H23FO6/c1-34-27-16-19(7-13-25(27)32)5-11-23(30)22(15-18-3-9-21(29)10-4-18)24(31)12-6-20-8-14-26(33)28(17-20)35-2/h3-17,32-33H,1-2H3/b11-5+,12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336261 (4-(4-hydroxy-3-methoxybenzylidene)-1,7-bis(4-hydro...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#8])c(-[#8]-[#6])c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8] Show InChI InChI=1S/C29H26O8/c1-35-27-15-18(6-11-24(27)32)4-9-22(30)21(14-20-8-13-26(34)29(17-20)37-3)23(31)10-5-19-7-12-25(33)28(16-19)36-2/h4-17,32-34H,1-3H3/b9-4+,10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336259 (4-(5-(3,4-dimethoxyphenyl)-2-(-3-(3,4-dimethoxyphe...) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2ccc(-[#6]=O)c(-[#6]=O)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#8]-[#6])c2)cc1-[#8]-[#6] Show InChI InChI=1S/C32H28O8/c1-37-29-13-8-21(17-31(29)39-3)6-11-27(35)26(16-23-5-10-24(19-33)25(15-23)20-34)28(36)12-7-22-9-14-30(38-2)32(18-22)40-4/h5-20H,1-4H3/b11-6+,12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336251 (1,7-bis(4-fluorophenyl)-5-hydroxyhepta-1,4,6-trien...) Show SMILES Fc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(F)cc2)cc1 |w:13.13,6.6| Show InChI InChI=1S/C19H14F2O2/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336256 (4-(3,4-dimethoxybenzylidene)-1,7-bis(4-hydroxy-3-m...) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6](/[#6](=O)/[#6]=[#6]/c2ccc(-[#8])c(-[#8]-[#6])c2)-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)cc1-[#8]-[#6] Show InChI InChI=1S/C30H28O8/c1-35-27-14-9-21(18-30(27)38-4)15-22(23(31)10-5-19-7-12-25(33)28(16-19)36-2)24(32)11-6-20-8-13-26(34)29(17-20)37-3/h5-18,33-34H,1-4H3/b10-5+,11-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336272 (Acemetacin | CHEMBL189171 | [1-(4-Chloro-benzoyl)-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1 Show InChI InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336254 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(1H-pyrr...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc[nH]2)ccc1O |w:5.4,12.11| Show InChI InChI=1S/C18H17NO4/c1-23-18-11-13(5-9-17(18)22)4-7-15(20)12-16(21)8-6-14-3-2-10-19-14/h2-11,19,22H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50059989 ((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...) Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336264 (3-((5-nitrofuran-2-yl)methylene)pentane-2,4-dione ...) Show SMILES [#6]-[#6](=O)-[#6](=[#6]\c1ccc(o1)-[#7+](-[#8-])=O)\[#6](-[#6])=O Show InChI InChI=1S/C10H9NO5/c1-6(12)9(7(2)13)5-8-3-4-10(16-8)11(14)15/h3-5H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336252 (1-(3,4-dimethoxyphenyl)-5-hydroxy-7-(4-hydroxyphen...) Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1OC |w:6.5,13.12| Show InChI InChI=1S/C21H20O5/c1-25-20-12-7-16(13-21(20)26-2)6-11-19(24)14-18(23)10-5-15-3-8-17(22)9-4-15/h3-13,22H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336268 (CHEMBL1669738 | diethyl 2,5-diacetylhexa-2,4-diene...) Show SMILES CCOC(=O)C(=CC=C(C(C)=O)C(=O)OCC)C(C)=O |w:6.6,8.8| Show InChI InChI=1S/C14H18O6/c1-5-19-13(17)11(9(3)15)7-8-12(10(4)16)14(18)20-6-2/h7-8H,5-6H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336272 (Acemetacin | CHEMBL189171 | [1-(4-Chloro-benzoyl)-...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(O)=O)c2c1 Show InChI InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336267 (CHEMBL1669737 | ethyl 2-(3-nitrobenzylidene)-3-oxo...) Show SMILES CCOC(=O)C(=Cc1cccc(c1)[N+]([O-])=O)C(C)=O |w:6.6| Show InChI InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336253 (5-hydroxy-7-(5-(hydroxymethyl)furan-2-yl)-1-(4-met...) Show SMILES COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(CO)o2)cc1 |w:14.14,7.7| Show InChI InChI=1S/C19H18O5/c1-23-17-7-3-14(4-8-17)2-5-15(21)12-16(22)6-9-18-10-11-19(13-20)24-18/h2-11,20H,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50012899 ((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...) Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1| Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336271 (4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-hexa-3,5-d...) Show SMILES COc1cc(C=CC(=O)CC(C)=O)ccc1O |w:5.4| Show InChI InChI=1S/C13H14O4/c1-9(14)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h3-6,8,16H,7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336263 (3-(3-nitrobenzylidene)pentane-2,4-dione | CHEMBL16...) Show SMILES [#6]-[#6](=O)-[#6](=[#6]\c1cccc(c1)-[#7+](-[#8-])=O)\[#6](-[#6])=O Show InChI InChI=1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-4-3-5-11(6-10)13(16)17/h3-7H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50027952 (5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acet...) Show SMILES Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336260 (4-(hydroxymethylene)-1,7-bis(4-methoxyphenyl)hepta...) Show SMILES COc1ccc(C=CC(=O)C(C=O)C(=O)C=Cc2ccc(OC)cc2)cc1 |w:7.7,16.16| Show InChI InChI=1S/C22H20O5/c1-26-18-9-3-16(4-10-18)7-13-21(24)20(15-23)22(25)14-8-17-5-11-19(27-2)12-6-17/h3-15,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50012899 ((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...) Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1| Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336266 (CHEMBL1669736 | ethyl 2-(4-nitrobenzylidene)-3-oxo...) Show SMILES CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(C)=O |w:6.6| Show InChI InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-4-6-11(7-5-10)14(17)18/h4-8H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50027952 (5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acet...) Show SMILES Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM54705 (CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...) Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336262 (3-(4-methoxybenzylidene)pentane-2,4-dione | CHEMBL...) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6](\[#6](-[#6])=O)-[#6](-[#6])=O)cc1 Show InChI InChI=1S/C13H14O3/c1-9(14)13(10(2)15)8-11-4-6-12(16-3)7-5-11/h4-8H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50297424 ((E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid et...) Show SMILES CCOC(=O)\C=C\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.85E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM54705 (CHEMBL1297 | Fenoprofen | UNM-0000306101 | calcium...) Show SMILES CC(C(O)=O)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of glyoxalase 1				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336265 (2-(3-nitrobenzylidene)malonic acid | CHEMBL1669735) Show SMILES [#8]-[#6](=O)-[#6](=[#6]\c1cccc(c1)-[#7+](-[#8-])=O)\[#6](-[#8])=O Show InChI InChI=1S/C10H7NO6/c12-9(13)8(10(14)15)5-6-2-1-3-7(4-6)11(16)17/h1-5H,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50295287 (2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.01E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336270 (3-(4-fluorophenyl)acrylamide | CHEMBL1669739) Show SMILES NC(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C9H8FNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336255 (1,7-di(furan-2-yl)-5-hydroxyhepta-1,4,6-trien-3-on...) Show SMILES O=C(CC(=O)C=Cc1ccco1)C=Cc1ccco1 |w:13.14,5.4| Show InChI InChI=1S/C15H12O4/c16-12(5-7-14-3-1-9-18-14)11-13(17)6-8-15-4-2-10-19-15/h1-10H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50336269 (CHEMBL1669711 | methyl 3-(4-fluorophenyl)acrylate) Show SMILES COC(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.91E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis				Bioorg Med Chem 19: 1189-96 (2011) Article DOI: 10.1016/j.bmc.2010.12.039 BindingDB Entry DOI: 10.7270/Q2222V2X
					More data for this Ligand-Target Pair