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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'pershadsingh' and Initial = 'ha'   
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
AGTR1


(RAT)
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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0.230n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303975
PNG
(3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)
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13.4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303976
PNG
(3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)
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1.62E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303977
PNG
(3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)
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2.23E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303979
PNG
(CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3
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2.53E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303978
PNG
(1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1
Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)
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2.84E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303980
PNG
(1-(4-((1H-Tetrazol-5-yl)methoxy)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCc2nnn[nH]2)cc1
Show InChI InChI=1S/C20H22N6O/c1-3-5-19-21-20-14(2)6-4-7-17(20)26(19)12-15-8-10-16(11-9-15)27-13-18-22-24-25-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,22,23,24,25)
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5.06E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303986
PNG
(CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303982
PNG
(CHEMBL567689 | Methyl 3-(4-((4-Methyl-2-propyl-1H-...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-13H,4-5,7,14-16H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303983
PNG
(CHEMBL565793 | ethyl 2-(4-((4-methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C22H26N2O3/c1-4-7-20-23-22-16(3)8-6-9-19(22)24(20)14-17-10-12-18(13-11-17)27-15-21(25)26-5-2/h6,8-13H,4-5,7,14-15H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303984
PNG
(CHEMBL565379 | Ethyl 2-Methyl-2-(4-((4-methyl-2-pr...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N2O3/c1-6-9-21-25-22-17(3)10-8-11-20(22)26(21)16-18-12-14-19(15-13-18)29-24(4,5)23(27)28-7-2/h8,10-15H,6-7,9,16H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303985
PNG
(CHEMBL567269 | Ethyl 2,2-Dimethyl-3-(4-(2-(4-methy...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C26H34N2O3/c1-6-9-23-27-24-19(3)10-8-11-22(24)28(23)16-17-31-21-14-12-20(13-15-21)18-26(4,5)25(29)30-7-2/h8,10-15H,6-7,9,16-18H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303981
PNG
(CHEMBL567063 | Ethyl 3-(4-((4-Methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(\C=C\C(=O)OCC)cc1
Show InChI InChI=1S/C23H26N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-15H,4-5,7,16H2,1-3H3/b15-14+
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/an/an/a 550n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190426
PNG
(CHEMBL448790 | methyl [3-chloro-4-(3-{[5-(1,2-dith...)
Show SMILES COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCCC2CCSS2)c(Cl)c1
Show InChI InChI=1S/C21H30ClNO4S2/c1-23(20(24)7-4-3-6-17-10-13-28-29-17)11-5-12-27-19-9-8-16(14-18(19)22)15-21(25)26-2/h8-9,14,17H,3-7,10-13,15H2,1-2H3
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n/an/an/an/a 1.85E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50303986
PNG
(CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3
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n/an/an/an/a 300n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assay


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a 700n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assay


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190432
PNG
(CHEMBL211237 | [3-chloro-4-(3-{[5-(1,2-dithiolan-3...)
Show SMILES CN(CCCOc1ccc(CC(O)=O)cc1Cl)C(=O)CCCCC1CCSS1
Show InChI InChI=1S/C20H28ClNO4S2/c1-22(19(23)6-3-2-5-16-9-12-27-28-16)10-4-11-26-18-8-7-15(13-17(18)21)14-20(24)25/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,24,25)
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n/an/an/an/a 1.23E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190427
PNG
(CHEMBL208601 | N-(2-{4-[(2,4-dioxo-1,3-thiazolidin...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC1CCSS1
Show InChI InChI=1S/C21H28N2O4S3/c1-23(19(24)5-3-2-4-17-10-13-28-30-17)11-12-27-16-8-6-15(7-9-16)14-18-20(25)22-21(26)29-18/h6-9,17,25H,2-5,10-14H2,1H3,(H,22,26)
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n/an/an/an/a 15n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190430
PNG
(4-({3-(acetylthio)-8-[(2-{4-[(2,4-dioxo-1,3-thiazo...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)CCC([O-])=O)SC(C)=O
Show InChI InChI=1S/C27H36N2O8S3/c1-18(30)39-21(13-16-38-25(34)12-11-24(32)33)5-3-4-6-23(31)29(2)14-15-37-20-9-7-19(8-10-20)17-22-26(35)28-27(36)40-22/h7-10,21,35H,3-6,11-17H2,1-2H3,(H,28,36)(H,32,33)/p-1
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n/an/an/an/a 150n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190421
PNG
(5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]...)
Show SMILES CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C20H28N2O3S3/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18/h5-8,17,23H,2-4,9-14H2,1H3,(H,21,24)
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n/an/an/an/a 2.80E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190421
PNG
(5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]...)
Show SMILES CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C20H28N2O3S3/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18/h5-8,17,23H,2-4,9-14H2,1H3,(H,21,24)
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n/an/an/an/a 1.11E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190422
PNG
(2,2'-[{8-[(2-{4-[(2,4-dDioxo-1,3-thiazolidin-5-yl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)C[NH3+])SC(=O)C[NH3+]
Show InChI InChI=1S/C25H36N4O6S3/c1-29(11-12-35-18-8-6-17(7-9-18)14-20-24(33)28-25(34)38-20)21(30)5-3-2-4-19(37-23(32)16-27)10-13-36-22(31)15-26/h6-9,19,33H,2-5,10-16,26-27H2,1H3,(H,28,34)/p+2
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n/an/an/an/a 60n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190428
PNG
(CHEMBL379050 | N-(2-{4-[(2,4-dioxo-1,3-thiazolidin...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(S)CCS
Show InChI InChI=1S/C21H30N2O4S3/c1-23(19(24)5-3-2-4-17(29)10-13-28)11-12-27-16-8-6-15(7-9-16)14-18-20(25)22-21(26)30-18/h6-9,17,25,28-29H,2-5,10-14H2,1H3,(H,22,26)
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n/an/an/an/a 75n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190425
PNG
(CHEMBL209364 | N-(2-{4-[(2,4-dioxa-1,3-thiazolidin...)
Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(OCCNC(=O)CCCCC2CCSS2)cc1
Show InChI InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16,24H,1-4,9-13H2,(H,21,23)(H,22,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190424
PNG
(2-({3-(acetylthio)-8-[(2-{4-[(2,4-dioxo-1,3-thiazo...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)C[NH3+])SC(C)=O
Show InChI InChI=1S/C25H35N3O6S3/c1-17(29)36-20(11-14-35-23(31)16-26)5-3-4-6-22(30)28(2)12-13-34-19-9-7-18(8-10-19)15-21-24(32)27-25(33)37-21/h7-10,20,32H,3-6,11-16,26H2,1-2H3,(H,27,33)/p+1
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n/an/an/an/a 195n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 76n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190423
PNG
(4,4'-[{8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)m...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)CCC([O-])=O)SC(=O)CCC([O-])=O
Show InChI InChI=1S/C29H38N2O10S3/c1-31(15-16-41-20-8-6-19(7-9-20)18-22-28(39)30-29(40)44-22)23(32)5-3-2-4-21(43-27(38)13-11-25(35)36)14-17-42-26(37)12-10-24(33)34/h6-9,21,39H,2-5,10-18H2,1H3,(H,30,40)(H,33,34)(H,35,36)/p-2
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n/an/an/an/a 80n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190421
PNG
(5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]...)
Show SMILES CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C20H28N2O3S3/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18/h5-8,17,23H,2-4,9-14H2,1H3,(H,21,24)
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n/an/an/an/a 1.11E+4n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190419
PNG
(4-({8-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)meth...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(S)CCSC(=O)CCC([O-])=O
Show InChI InChI=1S/C25H34N2O7S3/c1-27(21(28)5-3-2-4-19(35)12-15-36-23(31)11-10-22(29)30)13-14-34-18-8-6-17(7-9-18)16-20-24(32)26-25(33)37-20/h6-9,19,32,35H,2-5,10-16H2,1H3,(H,26,33)(H,29,30)/p-1
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n/an/an/an/a 20n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50190420
PNG
(CHEMBL212737 | S,S'-{8-[(2-{4-[(2,4-dioxo-1,3-thia...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(C)=O)SC(C)=O
Show InChI InChI=1S/C25H34N2O6S3/c1-17(28)34-15-12-21(35-18(2)29)6-4-5-7-23(30)27(3)13-14-33-20-10-8-19(9-11-20)16-22-24(31)26-25(32)36-22/h8-11,21,31H,4-7,12-16H2,1-3H3,(H,26,32)
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n/an/an/an/a 39n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma in CV1 cells


J Med Chem 49: 4072-84 (2006)


Article DOI: 10.1021/jm0510880
BindingDB Entry DOI: 10.7270/Q2PZ59M5
More data for this
Ligand-Target Pair