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SMILES: [NH3+]C(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC([O-])=O)C([O-])=O

InChI Key: InChIKey=IQPLOQWSCZRUCA-UHFFFAOYSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50039111   
Target/Host
(Institution)
LigandTarget/Host
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
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
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))
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