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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P09488   
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
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361800
PNG
(CHEMBL1938641)
Show SMILES CCCCCCCCCCO[C@H]1CC(COC(C)=O)C(=O)C(=O)[C@H]1O |r|
Show InChI InChI=1S/C19H32O6/c1-3-4-5-6-7-8-9-10-11-24-16-12-15(13-25-14(2)20)17(21)19(23)18(16)22/h15-16,18,22H,3-13H2,1-2H3/t15?,16-,18-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361799
PNG
(CHEMBL1938640)
Show SMILES CCCCCCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 |r,t:12|
Show InChI InChI=1S/C25H42O8/c1-7-8-9-10-11-12-13-14-15-30-20-16-19(17-31-18(2)26)21(27)23-22(20)32-24(3,28-5)25(4,29-6)33-23/h16,20,22-23H,7-15,17H2,1-6H3/t20-,22-,23-,24+,25+/m0/s1
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n/an/a 3.36E+4n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361797
PNG
(CHEMBL1938638)
Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OC\C=C\c3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:18|
Show InChI InChI=1S/C24H30O8/c1-16(25)30-15-18-14-19(29-13-9-12-17-10-7-6-8-11-17)21-22(20(18)26)32-24(3,28-5)23(2,27-4)31-21/h6-12,14,19,21-22H,13,15H2,1-5H3/b12-9+/t19-,21-,22-,23+,24+/m0/s1
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n/an/a 4.45E+4n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361798
PNG
(CHEMBL1938639)
Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc(cc3)-c3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:23|
Show InChI InChI=1S/C28H32O8/c1-18(29)33-17-22-15-23(25-26(24(22)30)36-28(3,32-5)27(2,31-4)35-25)34-16-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-15,23,25-26H,16-17H2,1-5H3/t23-,25-,26-,27+,28+/m0/s1
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n/an/a 4.47E+4n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361793
PNG
(CHEMBL1938634)
Show SMILES CO[C@]1(C)O[C@H]2[C@@H](OCc3ccc4ccccc4c3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC |r,t:21|
Show InChI InChI=1S/C26H30O8/c1-16(27)31-15-20-13-21(32-14-17-10-11-18-8-6-7-9-19(18)12-17)23-24(22(20)28)34-26(3,30-5)25(2,29-4)33-23/h6-13,21,23-24H,14-15H2,1-5H3/t21-,23-,24-,25+,26+/m0/s1
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n/an/a 5.66E+4n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361795
PNG
(CHEMBL1938636)
Show SMILES CCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 |r,t:8|
Show InChI InChI=1S/C21H34O8/c1-7-8-9-10-11-26-16-12-15(13-27-14(2)22)17(23)19-18(16)28-20(3,24-5)21(4,25-6)29-19/h12,16,18-19H,7-11,13H2,1-6H3/t16-,18-,19-,20+,21+/m0/s1
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n/an/a 1.24E+5n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361794
PNG
(CHEMBL1938635)
Show SMILES [#6]-[#8][C@]1([#6])[#8]-[#6@H]-2-[#6@@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]=[#6](-[#6]-[#8]-[#6](-[#6])=O)-[#6](=O)-[#6@@H]-2-[#8][C@@]1([#6])[#8]-[#6] |r,t:13|
Show InChI InChI=1S/C20H30O8/c1-12(2)8-9-25-15-10-14(11-26-13(3)21)16(22)18-17(15)27-19(4,23-6)20(5,24-7)28-18/h8,10,15,17-18H,9,11H2,1-7H3/t15-,17-,18-,19+,20+/m0/s1
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n/an/a 1.63E+5n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM50361796
PNG
(CHEMBL1938637)
Show SMILES [#6]-[#8][C@]1([#6])[#8]-[#6@H]-2-[#6@@H](-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]=[#6](-[#6]-[#8]-[#6](-[#6])=O)-[#6](=O)-[#6@@H]-2-[#8][C@@]1([#6])[#8]-[#6] |r,t:18|
Show InChI InChI=1S/C25H38O8/c1-16(2)10-9-11-17(3)12-13-30-20-14-19(15-31-18(4)26)21(27)23-22(20)32-24(5,28-7)25(6,29-8)33-23/h10,12,14,20,22-23H,9,11,13,15H2,1-8H3/b17-12+/t20-,22-,23-,24+,25+/m0/s1
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n/an/a 1.77E+5n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair