Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'creighton' and Initial = 'dj'   

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))	BDBM50126960 (CHEMBL3629116) Show SMILES ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCNC(=O)CCNC(=O)CC(=O)NCCNC(=O)CC(=O)NCCC(=O)NCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 Show InChI InChI=1S/C58H78Br2N14O26S2/c59-33-1-5-35(6-2-33)73(97)57(95)101-31-39(53(89)69-29-49(83)84)71-43(77)11-9-37(55(91)92)61-19-15-51(87)99-25-23-67-41(75)13-17-63-45(79)27-47(81)65-21-22-66-48(82)28-46(80)64-18-14-42(76)68-24-26-100-52(88)16-20-62-38(56(93)94)10-12-44(78)72-40(54(90)70-30-50(85)86)32-102-58(96)74(98)36-7-3-34(60)4-8-36/h1-8,37-40,61-62,97-98H,9-32H2,(H,63,79)(H,64,80)(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,89)(H,70,90)(H,71,77)(H,72,78)(H,83,84)(H,85,86)(H,91,92)(H,93,94)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of 6-His tagged recombinant human glyoxalase 1 transfected in Escherichia coli BL21 (DE3) assessed as S-D-lactoylglutathione formation by ...				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50126961 (CHEMBL3629115) Show SMILES ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCOCCOCCOCCNC(=O)CCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCC(=O)NCCOCCOCCOCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 Show InChI InChI=1S/C82H128Br2N12O33S2/c83-59-15-19-61(20-16-59)95(117)81(115)130-57-65(77(109)91-55-73(103)104)93-71(101)25-23-63(79(111)112)85-31-27-75(107)128-53-51-126-49-47-124-45-41-121-37-33-89-69(99)13-7-3-1-5-11-67(97)87-29-9-35-119-39-43-123-44-40-120-36-10-30-88-68(98)12-6-2-4-8-14-70(100)90-34-38-122-42-46-125-48-50-127-52-54-129-76(108)28-32-86-64(80(113)114)24-26-72(102)94-66(78(110)92-56-74(105)106)58-131-82(116)96(118)62-21-17-60(84)18-22-62/h15-22,63-66,85-86,117-118H,1-14,23-58H2,(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,109)(H,92,110)(H,93,101)(H,94,102)(H,103,104)(H,105,106)(H,111,112)(H,113,114)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of 6-His tagged recombinant human glyoxalase 1 transfected in Escherichia coli BL21 (DE3) assessed as S-D-lactoylglutathione formation by ...				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092826 ((2S)-2-amino-5-{[(1R)-1-[({[(4-bromophenyl)(hydrox...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039111 (S-(N-Hydroxy-N-(4-bromophenyl)carbamoyl)glutathion...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against human erythrocyte glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092826 ((2S)-2-amino-5-{[(1R)-1-[({[(4-bromophenyl)(hydrox...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092827 (CHEMBL127840 | S-(N-hexyl-N-hydroxycarbamoyl)gluta...) Show SMILES CCCCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C17H30N4O8S/c1-2-3-4-5-8-21(29)17(28)30-10-12(15(25)19-9-14(23)24)20-13(22)7-6-11(18)16(26)27/h11-12,29H,2-10,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092831 (CHEMBL128836 | S-(N-heptyl-N-hydroxycarbamoyl)glut...) Show SMILES CCCCCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C18H32N4O8S/c1-2-3-4-5-6-9-22(30)18(29)31-11-13(16(26)20-10-15(24)25)21-14(23)8-7-12(19)17(27)28/h12-13,30H,2-11,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Competitive inhibition of GLO1 (unknown origin)				Bioorg Med Chem 22: 3301-8 (2014) Article DOI: 10.1016/j.bmc.2014.04.055 BindingDB Entry DOI: 10.7270/Q29025C5
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039108 (S-(N-Hydroxy-N-(4-chlorophenyl)carbamoyl)glutathio...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against human erythrocyte glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50126957 (CHEMBL3629119) Show SMILES CCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29ClN4O10S/c1-2-37-19(31)9-10-24-15(21(33)34)7-8-17(28)26-16(20(32)25-11-18(29)30)12-38-22(35)27(36)14-5-3-13(23)4-6-14/h3-6,15-16,24,36H,2,7-12H2,1H3,(H,25,32)(H,26,28)(H,29,30)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50241121 ((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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of GLO1 (unknown origin)				Bioorg Med Chem 22: 3301-8 (2014) Article DOI: 10.1016/j.bmc.2014.04.055 BindingDB Entry DOI: 10.7270/Q29025C5
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Bos taurus)	BDBM50126960 (CHEMBL3629116) Show SMILES ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCNC(=O)CCNC(=O)CC(=O)NCCNC(=O)CC(=O)NCCC(=O)NCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 Show InChI InChI=1S/C58H78Br2N14O26S2/c59-33-1-5-35(6-2-33)73(97)57(95)101-31-39(53(89)69-29-49(83)84)71-43(77)11-9-37(55(91)92)61-19-15-51(87)99-25-23-67-41(75)13-17-63-45(79)27-47(81)65-21-22-66-48(82)28-46(80)64-18-14-42(76)68-24-26-100-52(88)16-20-62-38(56(93)94)10-12-44(78)72-40(54(90)70-30-50(85)86)32-102-58(96)74(98)36-7-3-34(60)4-8-36/h1-8,37-40,61-62,97-98H,9-32H2,(H,63,79)(H,64,80)(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,89)(H,70,90)(H,71,77)(H,72,78)(H,83,84)(H,85,86)(H,91,92)(H,93,94)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of bovine liver glyoxalase 2				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50126958 (CHEMBL3629118) Show SMILES CC(=O)CNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C20H25ClN4O9S/c1-11(26)8-22-14(19(31)32)6-7-16(27)24-15(18(30)23-9-17(28)29)10-35-20(33)25(34)13-4-2-12(21)3-5-13/h2-5,14-15,22,34H,6-10H2,1H3,(H,23,30)(H,24,27)(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Bos taurus)	BDBM50126961 (CHEMBL3629115) Show SMILES ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCOCCOCCOCCNC(=O)CCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCC(=O)NCCOCCOCCOCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 Show InChI InChI=1S/C82H128Br2N12O33S2/c83-59-15-19-61(20-16-59)95(117)81(115)130-57-65(77(109)91-55-73(103)104)93-71(101)25-23-63(79(111)112)85-31-27-75(107)128-53-51-126-49-47-124-45-41-121-37-33-89-69(99)13-7-3-1-5-11-67(97)87-29-9-35-119-39-43-123-44-40-120-36-10-30-88-68(98)12-6-2-4-8-14-70(100)90-34-38-122-42-46-125-48-50-127-52-54-129-76(108)28-32-86-64(80(113)114)24-26-72(102)94-66(78(110)92-56-74(105)106)58-131-82(116)96(118)62-21-17-60(84)18-22-62/h15-22,63-66,85-86,117-118H,1-14,23-58H2,(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,109)(H,92,110)(H,93,101)(H,94,102)(H,103,104)(H,105,106)(H,111,112)(H,113,114)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of bovine liver glyoxalase 2				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039113 (S-(N-Hydroxy-N-phenylcarbamoyl)glutathione) Show SMILES [NH3+]C(CCC(=O)NC(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)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against human erythrocyte glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092825 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092830 (CHEMBL129965 | S-(N-pentyl-N-hydroxycarbamoyl)glut...) Show SMILES CCCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C16H28N4O8S/c1-2-3-4-7-20(28)16(27)29-9-11(14(24)18-8-13(22)23)19-12(21)6-5-10(17)15(25)26/h10-11,28H,2-9,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)(H,25,26)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092822 (CHEMBL128447 | S-(N-butyl-N-hydroxycarbamoyl)gluta...) Show SMILES CCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C15H26N4O8S/c1-2-3-6-19(27)15(26)28-8-10(13(23)17-7-12(21)22)18-11(20)5-4-9(16)14(24)25/h9-10,27H,2-8,16H2,1H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/t9-,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50126959 (CHEMBL3629117) Show SMILES NCCC(=O)NC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C20H26ClN5O9S/c21-11-1-3-12(4-2-11)26(35)20(34)36-10-14(18(31)23-9-17(29)30)25-15(27)6-5-13(19(32)33)24-16(28)7-8-22/h1-4,13-14,35H,5-10,22H2,(H,23,31)(H,24,28)(H,25,27)(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of human glyoxalase 1				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092829 (CHEMBL129597 | S-(N-propyl-N-hydroxycarbamoyl)glut...) Show SMILES CCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C14H24N4O8S/c1-2-5-18(26)14(25)27-7-9(12(22)16-6-11(20)21)17-10(19)4-3-8(15)13(23)24/h8-9,26H,2-7,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8-,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092832 (CHEMBL128867 | S-(N-ethyl-N-hydroxycarbamoyl)gluta...) Show SMILES CCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C13H22N4O8S/c1-2-17(25)13(24)26-6-8(11(21)15-5-10(19)20)16-9(18)4-3-7(14)12(22)23/h7-8,25H,2-6,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t7-,8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092826 ((2S)-2-amino-5-{[(1R)-1-[({[(4-bromophenyl)(hydrox...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on yeast glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039111 (S-(N-Hydroxy-N-(4-bromophenyl)carbamoyl)glutathion...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039111 (S-(N-Hydroxy-N-(4-bromophenyl)carbamoyl)glutathion...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of thehydrolysis of S-D-lactoylglutathione ...				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Bos taurus)	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University Curated by ChEMBL					Assay Description Inhibition of bovine liver glyoxalase 2				Bioorg Med Chem Lett 25: 4724-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.055 BindingDB Entry DOI: 10.7270/Q26H4K7B
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039110 (S-(N-Methyl-N-hydroxycarbomyl)ethylglutathione) Show SMILES CN(O)C(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C7H12N2O6S/c1-9(15)7(14)16-2-3(5(10)11)4(8)6(12)13/h3-4,15H,2,8H2,1H3,(H,10,11)(H,12,13)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against human erythrocyte glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092823 (CHEMBL129435 | S-(N-methyl-N-hydroxycarbamoyl)glut...) Show SMILES CN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C12H20N4O8S/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039108 (S-(N-Hydroxy-N-(4-chlorophenyl)carbamoyl)glutathio...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of thehydrolysis of S-D-lactoylglutathione ...				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on yeast glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039108 (S-(N-Hydroxy-N-(4-chlorophenyl)carbamoyl)glutathio...) Show SMILES [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC([O-])=O)C([O-])=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092826 ((2S)-2-amino-5-{[(1R)-1-[({[(4-bromophenyl)(hydrox...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on Pseudomonas putida glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039113 (S-(N-Hydroxy-N-phenylcarbamoyl)glutathione) Show SMILES [NH3+]C(CCC(=O)NC(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)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constant for the inhibition of the hydrolysis of S-D-lactoylglutathione by glyoxalase II				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039113 (S-(N-Hydroxy-N-phenylcarbamoyl)glutathione) Show SMILES [NH3+]C(CCC(=O)NC(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)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092825 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on yeast glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092824 (CHEMBL131578 | S-(N-4chlorophenyl-N-hydroxycarbamo...) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on Pseudomonas putida glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092825 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on Pseudomonas putida glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039110 (S-(N-Methyl-N-hydroxycarbomyl)ethylglutathione) Show SMILES CN(O)C(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C7H12N2O6S/c1-9(15)7(14)16-2-3(5(10)11)4(8)6(12)13/h3-4,15H,2,8H2,1H3,(H,10,11)(H,12,13)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092823 (CHEMBL129435 | S-(N-methyl-N-hydroxycarbamoyl)glut...) Show SMILES CN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C12H20N4O8S/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on yeast glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092823 (CHEMBL129435 | S-(N-methyl-N-hydroxycarbamoyl)glut...) Show SMILES CN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C12H20N4O8S/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity of the compound on Pseudomonas putida glyoxalase I (GlxI) was determined				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50092828 (CHEMBL419969 | S-(N-hydroxycarbamoyl)glutathione) Show SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)NO)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C11H18N4O8S/c12-5(10(20)21)1-2-7(16)14-6(4-24-11(22)15-23)9(19)13-3-8(17)18/h5-6,23H,1-4,12H2,(H,13,19)(H,14,16)(H,15,22)(H,17,18)(H,20,21)/t5-,6-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity for Glyoxalase I				J Med Chem 43: 3981-6 (2000) BindingDB Entry DOI: 10.7270/Q2BC3XS4
					More data for this Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial (Homo sapiens (Human))	BDBM50039110 (S-(N-Methyl-N-hydroxycarbomyl)ethylglutathione) Show SMILES CN(O)C(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C7H12N2O6S/c1-9(15)7(14)16-2-3(5(10)11)4(8)6(12)13/h3-4,15H,2,8H2,1H3,(H,10,11)(H,12,13)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of thehydrolysis of S-D-lactoylglutathione ...				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039115 (CHEMBL68824 | S-(N-Methyl-N-hydroxycarbomyl)glutat...) Show SMILES CCOC(=O)C(CSC(=O)N(C)O)C([NH3+])C([O-])=O Show InChI InChI=1S/C9H16N2O6S/c1-3-17-8(14)5(6(10)7(12)13)4-18-9(15)11(2)16/h5-6,16H,3-4,10H2,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039114 (1,2-Dicarboxy-3-propionylsulfanyl-propyl-ammonium) Show SMILES CCC(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C8H13NO5S/c1-2-5(10)15-3-4(7(11)12)6(9)8(13)14/h4,6H,2-3,9H2,1H3,(H,11,12)(H,13,14)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.98E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039109 (S-D-Lactoylglutathione) Show SMILES C[C@@H](O)C(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C8H13NO6S/c1-3(10)8(15)16-2-4(6(11)12)5(9)7(13)14/h3-5,10H,2,9H2,1H3,(H,11,12)(H,13,14)/p-1/t3-,4?,5?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.23E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039116 (CHEMBL68031 | S-D-Lactoylethylglutathione) Show SMILES CCOC(=O)C(CSC(=O)[C@@H](C)O)C([NH3+])C([O-])=O Show InChI InChI=1S/C10H17NO6S/c1-3-17-9(15)6(7(11)8(13)14)4-18-10(16)5(2)12/h5-7,12H,3-4,11H2,1-2H3,(H,13,14)/t5-,6?,7?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.16E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039112 (S-(N-Methyl-N-carbomyl)glutathione) Show SMILES CNC(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C7H12N2O5S/c1-9-7(14)15-2-3(5(10)11)4(8)6(12)13/h3-4H,2,8H2,1H3,(H,9,14)(H,10,11)(H,12,13)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.67E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair
Glutathione S-transferase P (Homo sapiens (Human))	BDBM50175526 ((7-Oxo-cyclohept-1-enyl)-acetic acid (E)-propenyl ...) Show SMILES C\C=C\OC(=O)CC1=CCCCCC1=O |t:7| Show InChI InChI=1S/C12H16O3/c1-2-8-15-12(14)9-10-6-4-3-5-7-11(10)13/h2,6,8H,3-5,7,9H2,1H3/b8-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibitory concentration against GSTP1-1 overexpressed in MCF-7piGST cells				J Med Chem 48: 6549-52 (2005) Article DOI: 10.1021/jm058245f BindingDB Entry DOI: 10.7270/Q24749FB
					More data for this Ligand-Target Pair
Glutathione S-transferase P (Homo sapiens (Human))	BDBM50175526 ((7-Oxo-cyclohept-1-enyl)-acetic acid (E)-propenyl ...) Show SMILES C\C=C\OC(=O)CC1=CCCCCC1=O |t:7| Show InChI InChI=1S/C12H16O3/c1-2-8-15-12(14)9-10-6-4-3-5-7-11(10)13/h2,6,8H,3-5,7,9H2,1H3/b8-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibitory concentration against GSTP1-1 overexpressed in MCF7wt cells				J Med Chem 48: 6549-52 (2005) Article DOI: 10.1021/jm058245f BindingDB Entry DOI: 10.7270/Q24749FB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 52 total )  |  Next  |  Last  >>

Jump to: