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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'Glutathione S-transferase E2'   
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 S-transferase E2


(Anopheles gambiae (African malaria mosquito))
BDBM86108
PNG
(MR-13/4)
Show SMILES Oc1ccc(O)c2c(O)c3c(C=O)occ3c(O)c12
Show InChI InChI=1S/C13H8O6/c14-3-8-9-5(4-19-8)12(17)10-6(15)1-2-7(16)11(10)13(9)18/h1-4,15-18H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/a6.530



University of Zimbabwe



Assay Description
A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...


J Enzyme Inhib Med Chem 23: 391-9 (2008)


Article DOI: 10.1080/14756360701546595
BindingDB Entry DOI: 10.7270/Q25B011G
More data for this
Ligand-Target Pair
Glutathione S-transferase E2


(Anopheles gambiae (African malaria mosquito))
BDBM86109
PNG
(TRAL-1)
Show SMILES OC1Cc2c(O)cc(OC=O)c(C=C)c2OC1c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H16O7/c1-2-10-16(24-8-19)7-13(21)11-6-15(23)17(25-18(10)11)9-3-4-12(20)14(22)5-9/h2-5,7-8,15,17,20-23H,1,6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/a6.530



University of Zimbabwe



Assay Description
A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...


J Enzyme Inhib Med Chem 23: 391-9 (2008)


Article DOI: 10.1080/14756360701546595
BindingDB Entry DOI: 10.7270/Q25B011G
More data for this
Ligand-Target Pair
Glutathione S-transferase E2


(Anopheles gambiae (African malaria mosquito))
BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/a6.530



University of Zimbabwe



Assay Description
A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...


J Enzyme Inhib Med Chem 23: 391-9 (2008)


Article DOI: 10.1080/14756360701546595
BindingDB Entry DOI: 10.7270/Q25B011G
More data for this
Ligand-Target Pair
Glutathione S-transferase E2


(Anopheles gambiae (African malaria mosquito))
BDBM86110
PNG
Show SMILES COc1cc(O)c(c(O)c1C(C)=O)-c1c(C)cc(O)c2C(=O)c3c(O)cccc3Cc12 |(-3.58,-3.41,;-4.91,-2.64,;-4.91,-1.1,;-6.24,-.33,;-6.24,1.21,;-7.58,1.98,;-4.91,1.98,;-3.58,1.21,;-2.24,1.98,;-3.58,-.33,;-2.24,-1.1,;-.91,-.33,;-2.24,-2.64,;-4.91,3.52,;-3.58,4.29,;-2.24,3.52,;-3.58,5.83,;-4.91,6.6,;-4.91,8.14,;-6.24,5.83,;-7.58,6.6,;-7.58,8.14,;-8.91,5.83,;-10.24,6.6,;-10.24,8.14,;-11.58,5.83,;-11.58,4.29,;-10.24,3.52,;-8.91,4.29,;-7.58,3.52,;-6.24,4.29,)|
Show InChI InChI=1S/C24H20O7/c1-10-7-15(27)21-13(8-12-5-4-6-14(26)20(12)24(21)30)18(10)22-16(28)9-17(31-3)19(11(2)25)23(22)29/h4-7,9,26-29H,8H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/a6.530



University of Zimbabwe



Assay Description
A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...


J Enzyme Inhib Med Chem 23: 391-9 (2008)


Article DOI: 10.1080/14756360701546595
BindingDB Entry DOI: 10.7270/Q25B011G
More data for this
Ligand-Target Pair
Glutathione S-transferase E2


(Anopheles gambiae (African malaria mosquito))
BDBM86111
PNG
(GGI)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)C1([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |TLB:43:42:23.34.21:6.14.8|
Show InChI InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,31,39-40H,10,14,18-20,22H2,1-9H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/a6.530



University of Zimbabwe



Assay Description
A range of natural product were screened for inhibition of AgGSTE2. GST activity was monitored by measuring absorbance at 340 nm with time, using a ...


J Enzyme Inhib Med Chem 23: 391-9 (2008)


Article DOI: 10.1080/14756360701546595
BindingDB Entry DOI: 10.7270/Q25B011G
More data for this
Ligand-Target Pair