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12 molecules are shown

Wt: 749.4
BDBM50186228
Wt: 863.5
BDBM50186229
Wt: 905.6
BDBM50186230
Wt: 303.1
BDBM50186231
Purchase
Wt: 520.4
BDBM50186226
Wt: 877.5
BDBM50186225
Wt: 341.1
BDBM50300261
Wt: 403.2
BDBM50300262
Wt: 421.2
BDBM50300263
Wt: 471.2
BDBM50300264
Wt: 433.2
BDBM50300265
Wt: 437.7
BDBM50300266

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50186228,50186229,50186230,50186231,50186226,50186225,50300261,50300262,50300263,50300264,50300265,50300266   
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
large T antigen


(Simian virus 40)
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)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50300266
PNG
(5-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxym...)
Show SMILES CCC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(Cl)cc2)c(Cl)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O3/c1-3-11(2)19(26)14-8-9-15(18(23)17(14)22)27-10-16-24-20(25-28-16)12-4-6-13(21)7-5-12/h4-9H,2-3,10H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens)
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)
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n/an/a 4.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
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)
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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 transferase (GST)


(Homo sapiens (Human))
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)
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Zimbabwe



Assay Description
A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate sp...


J Enzyme Inhib Med Chem 25: 854-62 (2010)


Article DOI: 10.3109/14756366.2010.486793
BindingDB Entry DOI: 10.7270/Q2D21WGF
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50186225
PNG
(3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C40H41Cl4N5O9/c1-5-22(4)39(55)27-7-9-29(37(44)35(27)42)58-20-33(53)47-13-11-31(51)49-18-24-14-23(15-25(16-24)40(45)56)17-48-30(50)10-12-46-32(52)19-57-28-8-6-26(34(41)36(28)43)38(54)21(2)3/h6-9,14-16H,2,4-5,10-13,17-20H2,1,3H3,(H2,45,56)(H,46,52)(H,47,53)(H,48,50)(H,49,51)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50186226
PNG
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cccc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O5/c1-3-15(2)24(33)18-9-10-19(23(27)22(18)26)35-14-21(32)29-11-5-8-20(31)30-13-16-6-4-7-17(12-16)25(28)34/h4,6-7,9-10,12H,2-3,5,8,11,13-14H2,1H3,(H2,28,34)(H,29,32)(H,30,31)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50186228
PNG
(3,5-bis((2-(2,3-dichloro-4-(2-methylenebutanoyl)ph...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C35H33Cl4N3O7/c1-5-18(3)33(45)23-7-9-25(31(38)29(23)36)48-16-27(43)41-14-20-11-21(13-22(12-20)35(40)47)15-42-28(44)17-49-26-10-8-24(30(37)32(26)39)34(46)19(4)6-2/h7-13H,3-6,14-17H2,1-2H3,(H2,40,47)(H,41,43)(H,42,44)
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n/an/a 992n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
BDBM50186229
PNG
(3,5-bis((2-(2-(2,3-dichloro-4-(2-methylenebutanoyl...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C39H39Cl4N5O9/c1-5-20(3)37(53)25-7-9-27(35(42)33(25)40)56-18-31(51)47-16-29(49)45-14-22-11-23(13-24(12-22)39(44)55)15-46-30(50)17-48-32(52)19-57-28-10-8-26(34(41)36(28)43)38(54)21(4)6-2/h7-13H,3-6,14-19H2,1-2H3,(H2,44,55)(H,45,49)(H,46,50)(H,47,51)(H,48,52)
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n/an/a 24n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST A1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50186229
PNG
(3,5-bis((2-(2-(2,3-dichloro-4-(2-methylenebutanoyl...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C39H39Cl4N5O9/c1-5-20(3)37(53)25-7-9-27(35(42)33(25)40)56-18-31(51)47-16-29(49)45-14-22-11-23(13-24(12-22)39(44)55)15-46-30(50)17-48-32(52)19-57-28-10-8-26(34(41)36(28)43)38(54)21(4)6-2/h7-13H,3-6,14-19H2,1-2H3,(H2,44,55)(H,45,49)(H,46,50)(H,47,51)(H,48,52)
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n/an/a 704n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50186230
PNG
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C42H45Cl4N5O9/c1-5-24(4)41(57)29-11-13-31(39(46)37(29)44)60-22-35(55)49-15-7-9-33(53)51-20-26-16-25(17-27(18-26)42(47)58)19-50-32(52)8-6-14-48-34(54)21-59-30-12-10-28(36(43)38(30)45)40(56)23(2)3/h10-13,16-18H,2,4-9,14-15,19-22H2,1,3H3,(H2,47,58)(H,48,54)(H,49,55)(H,50,52)(H,51,53)
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n/an/a 624n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
BDBM50186226
PNG
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cccc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2N3O5/c1-3-15(2)24(33)18-9-10-19(23(27)22(18)26)35-14-21(32)29-11-5-8-20(31)30-13-16-6-4-7-17(12-16)25(28)34/h4,6-7,9-10,12H,2-3,5,8,11,13-14H2,1H3,(H2,28,34)(H,29,32)(H,30,31)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST A1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
BDBM50186230
PNG
(3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C42H45Cl4N5O9/c1-5-24(4)41(57)29-11-13-31(39(46)37(29)44)60-22-35(55)49-15-7-9-33(53)51-20-26-16-25(17-27(18-26)42(47)58)19-50-32(52)8-6-14-48-34(54)21-59-30-12-10-28(36(43)38(30)45)40(56)23(2)3/h10-13,16-18H,2,4-9,14-15,19-22H2,1,3H3,(H2,47,58)(H,48,54)(H,49,55)(H,50,52)(H,51,53)
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n/an/a 14.3n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST A1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
BDBM50186228
PNG
(3,5-bis((2-(2,3-dichloro-4-(2-methylenebutanoyl)ph...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C35H33Cl4N3O7/c1-5-18(3)33(45)23-7-9-25(31(38)29(23)36)48-16-27(43)41-14-20-11-21(13-22(12-20)35(40)47)15-42-28(44)17-49-26-10-8-24(30(37)32(26)39)34(46)19(4)6-2/h7-13H,3-6,14-17H2,1-2H3,(H2,40,47)(H,41,43)(H,42,44)
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n/an/a 32.7n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST A1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
BDBM50186225
PNG
(3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Show InChI InChI=1S/C40H41Cl4N5O9/c1-5-22(4)39(55)27-7-9-29(37(44)35(27)42)58-20-33(53)47-13-11-31(51)49-18-24-14-23(15-25(16-24)40(45)56)17-48-30(50)10-12-46-32(52)19-57-28-8-6-26(34(41)36(28)43)38(54)21(2)3/h6-9,14-16H,2,4-5,10-13,17-20H2,1,3H3,(H2,45,56)(H,46,52)(H,47,53)(H,48,50)(H,49,51)
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n/an/a 13.7n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST A1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
Glutathione S-transferase (GST)


(Homo sapiens (Human))
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)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST A1-1


Bioorg Med Chem Lett 16: 3780-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.041
BindingDB Entry DOI: 10.7270/Q28W3CXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin D Synthase


(Homo sapiens (human))
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)
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n/an/a 1.22E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation


Eur J Med Chem 45: 447-54 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.025
BindingDB Entry DOI: 10.7270/Q2HD7VQT
More data for this
Ligand-Target Pair
UDP-glucose 4-epimerase


(Homo sapiens)
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)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.091
BindingDB Entry DOI: 10.7270/Q2RJ4K83
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
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)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50300261
PNG
(5-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxym...)
Show SMILES CCC(=C)C(=O)c1ccc(OCc2nc(C)no2)c(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O3/c1-4-8(2)15(20)10-5-6-11(14(17)13(10)16)21-7-12-18-9(3)19-22-12/h5-6H,2,4,7H2,1,3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50300262
PNG
(5-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxym...)
Show SMILES CCC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccccc2)c(Cl)c1Cl
Show InChI InChI=1S/C20H16Cl2N2O3/c1-3-12(2)19(25)14-9-10-15(18(22)17(14)21)26-11-16-23-20(24-27-16)13-7-5-4-6-8-13/h4-10H,2-3,11H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50300263
PNG
(5-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxym...)
Show SMILES CCC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(F)cc2)c(Cl)c1Cl
Show InChI InChI=1S/C20H15Cl2FN2O3/c1-3-11(2)19(26)14-8-9-15(18(22)17(14)21)27-10-16-24-20(25-28-16)12-4-6-13(23)7-5-12/h4-9H,2-3,10H2,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50300264
PNG
(5-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxym...)
Show SMILES CCC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)c(Cl)c1Cl
Show InChI InChI=1S/C21H15Cl2F3N2O3/c1-3-11(2)19(29)14-8-9-15(18(23)17(14)22)30-10-16-27-20(28-31-16)12-4-6-13(7-5-12)21(24,25)26/h4-9H,2-3,10H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50300265
PNG
(5-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxym...)
Show SMILES CCC(=C)C(=O)c1ccc(OCc2nc(no2)-c2ccc(OC)cc2)c(Cl)c1Cl
Show InChI InChI=1S/C21H18Cl2N2O4/c1-4-12(2)20(26)15-9-10-16(19(23)18(15)22)28-11-17-24-21(25-29-17)13-5-7-14(27-3)8-6-13/h5-10H,2,4,11H2,1,3H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


J Med Chem 53: 1015-22 (2010)


Article DOI: 10.1021/jm9011565
BindingDB Entry DOI: 10.7270/Q2FF3T8S
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens)
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)
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n/an/a 4.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair