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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50035402   
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
Glutathione hydrolase 1 proenzyme


(Rattus norvegicus)
BDBM50148335
PNG
(1-Carboxy-3-[2-(carboxymethyl-carbamoyl)-ethanesul...)
Show SMILES [NH3+]C(CCS(=O)CCC(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6S/c10-6(9(15)16)1-3-18(17)4-2-7(12)11-5-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/p+1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+4n/an/an/an/an/an/a8.0n/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C (Competitive inhibition)


Bioorg Med Chem Lett 14: 3451-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.072
BindingDB Entry DOI: 10.7270/Q2X63NHS
More data for this
Ligand-Target Pair
Glutathione hydrolase 1 proenzyme


(Rattus norvegicus)
BDBM50148333
PNG
((S)-1-Carboxy-3-[4-(carboxymethyl-carbamoyl)-pheny...)
Show SMILES [NH3+][C@@H](CCS(=O)Cc1ccc(cc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C14H18N2O6S/c15-11(14(20)21)5-6-23(22)8-9-1-3-10(4-2-9)13(19)16-7-12(17)18/h1-4,11H,5-8,15H2,(H,16,19)(H,17,18)(H,20,21)/p+1/t11-,23?/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem
Article
PubMed
2.30E+5n/an/an/an/an/an/a8.0n/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C (Competitive inhibition)


Bioorg Med Chem Lett 14: 3451-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.072
BindingDB Entry DOI: 10.7270/Q2X63NHS
More data for this
Ligand-Target Pair
Glutathione hydrolase 1 proenzyme


(Rattus norvegicus)
BDBM50148336
PNG
((1S)-1-carboxy-3-({2-[(carboxymethyl)amino]-2-oxoe...)
Show SMILES [NH3+][C@@H](CCSCCC(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O5S/c10-6(9(15)16)1-3-17-4-2-7(12)11-5-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/p+1/t6-/m0/s1
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
5.20E+5n/an/an/an/an/an/a8.0n/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C (Competitive inhibition)


Bioorg Med Chem Lett 14: 3451-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.072
BindingDB Entry DOI: 10.7270/Q2X63NHS
More data for this
Ligand-Target Pair
Glutathione hydrolase 1 proenzyme


(Rattus norvegicus)
BDBM50148332
PNG
(1-Carboxy-3-[2-(carboxymethyl-carbamoyl)-ethanesul...)
Show SMILES [NH3+][C@@H](CCS(=O)(=O)CCC(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O7S/c10-6(9(15)16)1-3-19(17,18)4-2-7(12)11-5-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/p+1/t6-/m0/s1
KEGG

UniProtKB/SwissProt

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Article
PubMed
3.50E+6n/an/an/an/an/an/a8.0n/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C


Bioorg Med Chem Lett 14: 3451-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.072
BindingDB Entry DOI: 10.7270/Q2X63NHS
More data for this
Ligand-Target Pair
Glutathione hydrolase 1 proenzyme


(Rattus norvegicus)
BDBM50366922
PNG
(METHIONINE SULFOXIDE)
Show SMILES CS(=O)CC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
KEGG

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
5.90E+6n/an/an/an/an/an/a8.0n/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C (Competitive inhibition)


Bioorg Med Chem Lett 14: 3451-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.072
BindingDB Entry DOI: 10.7270/Q2X63NHS
More data for this
Ligand-Target Pair
Glutathione hydrolase 1 proenzyme


(Rattus norvegicus)
BDBM50142500
PNG
((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...)
Show SMILES CSCC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
KEGG

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.69E+7n/an/an/an/an/an/a8.0n/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C (Competitive inhibition)


Bioorg Med Chem Lett 14: 3451-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.072
BindingDB Entry DOI: 10.7270/Q2X63NHS
More data for this
Ligand-Target Pair