BindingDB logo
myBDB logout

PubMed code 8035422

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lactoylglutathione lyase


(Homo sapiens (Human))		BDBM50039111
PNG
(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
 14n/an/an/an/an/an/an/an/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))		BDBM50039108
PNG
(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
 46n/an/an/an/an/an/an/an/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))		BDBM50039113
PNG
(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
 160n/an/an/an/an/an/an/an/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))		BDBM50039111
PNG
(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+3n/an/an/an/an/an/an/an/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
PNG
(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+3n/an/an/an/an/an/an/an/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))		BDBM50039110
PNG
(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+3n/an/an/an/an/an/an/an/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
Hydroxyacylglutathione hydrolase, mitochondrial


(Homo sapiens (Human))		BDBM50039108
PNG
(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+3n/an/an/an/an/an/an/an/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))		BDBM50039108
PNG
(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+3n/an/an/an/an/an/an/an/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))		BDBM50039113
PNG
(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+4n/an/an/an/an/an/an/an/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))		BDBM50039113
PNG
(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+4n/an/an/an/an/an/an/an/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))		BDBM50039110
PNG
(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+4n/an/an/an/an/an/an/an/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))		BDBM50039110
PNG
(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+5n/an/an/an/an/an/an/an/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
PNG
(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+5n/an/an/an/an/an/an/an/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
PNG
(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+6n/an/an/an/an/an/an/an/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
PNG
(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+6n/an/an/an/an/an/an/an/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
PNG
(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+6n/an/an/an/an/an/an/an/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
PNG
(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+6n/an/an/an/an/an/an/an/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
* indicates data uncertainty>20%