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PubChem AID 504447

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79450
PNG
((4-cyclohexyl-1-piperazinyl)-[3-[(3-hydroxy-1-pipe...)
Show SMILES OC1CCCN(Cc2c(nc3ccccn23)C(=O)N2CCN(CC2)C2CCCCC2)C1
Show InChI InChI=1S/C24H35N5O2/c30-20-9-6-11-26(17-20)18-21-23(25-22-10-4-5-12-29(21)22)24(31)28-15-13-27(14-16-28)19-7-2-1-3-8-19/h4-5,10,12,19-20,30H,1-3,6-9,11,13-18H2
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n/an/an/an/a 5.00E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79443
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-be...)
Show SMILES COc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(C)o1
Show InChI InChI=1S/C22H16N2O6S/c1-11-5-8-14(30-11)18-17(19(25)15-4-3-9-29-15)20(26)21(27)24(18)22-23-13-7-6-12(28-2)10-16(13)31-22/h3-10,17-18H,1-2H3
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n/an/an/an/a 5.00E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM64759
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-ben...)
Show SMILES Cc1ccc(o1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C22H16N2O5S/c1-11-5-7-13-16(10-11)30-22(23-13)24-18(14-8-6-12(2)29-14)17(20(26)21(24)27)19(25)15-4-3-9-28-15/h3-10,17-18H,1-2H3
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n/an/an/an/a 2.60E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79453
PNG
(5-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-1-(2-met...)
Show SMILES COc1ccccc1-n1cc(cc(C#N)c1=O)C(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C20H13ClN2O4/c1-27-18-5-3-2-4-16(18)23-11-13(8-12(10-22)20(23)26)19(25)15-9-14(21)6-7-17(15)24/h2-9,11,24H,1H3
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n/an/an/an/a 2.40E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM61571
PNG
(3-(5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-py...)
Show SMILES COc1ccc(-c2nn(cc2\C=C2\SC(=S)N(CCC(O)=O)C2=O)-c2ccccc2)c(C)c1
Show InChI InChI=1S/C24H21N3O4S2/c1-15-12-18(31-2)8-9-19(15)22-16(14-27(25-22)17-6-4-3-5-7-17)13-20-23(30)26(24(32)33-20)11-10-21(28)29/h3-9,12-14H,10-11H2,1-2H3,(H,28,29)/b20-13+
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n/an/an/an/a 283n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79457
PNG
(2-[[1-(2-morpholin-4-ylethyl)-2-oxidanylidene-5,6,...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3CCCCc23)c1
Show InChI InChI=1S/C22H27N5O5S/c28-20(23-16-4-3-5-17(14-16)27(30)31)15-33-21-18-6-1-2-7-19(18)26(22(29)24-21)9-8-25-10-12-32-13-11-25/h3-5,14H,1-2,6-13,15H2,(H,23,28)
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n/an/an/an/a 631n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79449
PNG
(3-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-...)
Show SMILES CCCCOC(=O)CCN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C17H19NO3S2/c1-2-3-11-21-15(19)9-10-18-16(20)14(23-17(18)22)12-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3/b14-12-
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n/an/an/an/a 3.20E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79444
PNG
(1-[3-(1-benzylindol-3-yl)-5-phenyl-3,4-dihydropyra...)
Show SMILES CC(=O)N1N=C(CC1c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23N3O/c1-19(30)29-26(16-24(27-29)21-12-6-3-7-13-21)23-18-28(17-20-10-4-2-5-11-20)25-15-9-8-14-22(23)25/h2-15,18,26H,16-17H2,1H3
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n/an/an/an/a 1.20E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79456
PNG
(N-(2-chlorophenyl)-2-[1-(2-morpholin-4-yl-2-oxidan...)
Show SMILES Clc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H20ClN3O4/c23-17-6-2-3-7-18(17)24-22(29)21(28)16-13-26(19-8-4-1-5-15(16)19)14-20(27)25-9-11-30-12-10-25/h1-8,13H,9-12,14H2,(H,24,29)
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n/an/an/an/a 2.00E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79447
PNG
(3-[(5Z)-5-[3-(4-fluorobenzyl)oxybenzylidene]-4-ket...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O
Show InChI InChI=1S/C20H16FNO4S2/c21-15-6-4-13(5-7-15)12-26-16-3-1-2-14(10-16)11-17-19(25)22(20(27)28-17)9-8-18(23)24/h1-7,10-11H,8-9,12H2,(H,23,24)/b17-11-
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n/an/an/an/a 3.00E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79448
PNG
(3-[(5Z)-5-(2,4-difluorobenzylidene)-4-keto-2-thiox...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(F)cc2F)C1=O
Show InChI InChI=1S/C13H9F2NO3S2/c14-8-2-1-7(9(15)6-8)5-10-12(19)16(13(20)21-10)4-3-11(17)18/h1-2,5-6H,3-4H2,(H,17,18)/b10-5-
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n/an/an/an/a 1.50E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79441
PNG
(1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-furanyl)-3...)
Show SMILES CCOc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
Show InChI InChI=1S/C22H16N2O6S/c1-2-28-12-7-8-13-16(11-12)31-22(23-13)24-18(14-5-3-9-29-14)17(20(26)21(24)27)19(25)15-6-4-10-30-15/h3-11,17-18H,2H2,1H3
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n/an/an/an/a 1.20E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79442
PNG
(2-(2-furanyl)-4-hydroxy-1-(6-methyl-1,3-benzothiaz...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nc2ccc(C)cc2s1)c1ccco1
Show InChI InChI=1S/C22H16N2O5S/c1-11-5-7-13-16(10-11)30-22(23-13)24-18(14-4-3-9-28-14)17(20(26)21(24)27)19(25)15-8-6-12(2)29-15/h3-10,17-18H,1-2H3
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n/an/an/an/a 1.80E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79452
PNG
(N-(4-fluorophenyl)-2-(4-keto-6-methoxy-3-p-toluoyl...)
Show SMILES COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(C)cc3)c(=O)c2c1
Show InChI InChI=1S/C26H21FN2O4/c1-16-3-5-17(6-4-16)25(31)22-14-29(15-24(30)28-19-9-7-18(27)8-10-19)23-12-11-20(33-2)13-21(23)26(22)32/h3-14H,15H2,1-2H3,(H,28,30)
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n/an/an/an/a 1.40E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79454
PNG
(1-(4-ethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrrol-2-yl...)
Show SMILES CCOc1ccc(cc1)C1N(Cc2cccn2-c2ncccn2)CCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C28H27N5O/c1-2-34-22-12-10-20(11-13-22)27-26-24(23-8-3-4-9-25(23)31-26)14-18-32(27)19-21-7-5-17-33(21)28-29-15-6-16-30-28/h3-13,15-17,27,31H,2,14,18-19H2,1H3
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n/an/an/an/a 1.60E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79455
PNG
(8-fluoranyl-5-[(4-fluorophenyl)methyl]-2-[(3-metho...)
Show SMILES COc1cccc(Cn2nc3c(cn(Cc4ccc(F)cc4)c4ccc(F)cc34)c2=O)c1
Show InChI InChI=1S/C25H19F2N3O2/c1-32-20-4-2-3-17(11-20)14-30-25(31)22-15-29(13-16-5-7-18(26)8-6-16)23-10-9-19(27)12-21(23)24(22)28-30/h2-12,15H,13-14H2,1H3
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n/an/an/an/a 502n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79440
PNG
(3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine | 3-ben...)
Show SMILES CCn1cnc2n(Cc3ccccc3)c(=O)n(Cc3cccc(c3)[N+]([O-])=O)c(=O)c12
Show InChI InChI=1S/C21H19N5O4/c1-2-23-14-22-19-18(23)20(27)25(13-16-9-6-10-17(11-16)26(29)30)21(28)24(19)12-15-7-4-3-5-8-15/h3-11,14H,2,12-13H2,1H3
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n/an/an/an/a 181n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM66449
PNG
(2-[3-(4-fluorobenzoyl)-4-keto-6-methoxy-1-quinolyl...)
Show SMILES COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(F)cc3)c(=O)c2c1
Show InChI InChI=1S/C25H18F2N2O4/c1-33-19-10-11-22-20(12-19)25(32)21(24(31)15-2-4-16(26)5-3-15)13-29(22)14-23(30)28-18-8-6-17(27)7-9-18/h2-13H,14H2,1H3,(H,28,30)
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n/an/an/an/a 1.80E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM63698
PNG
(1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dim...)
Show SMILES Cc1cc(C(=O)CN2C(=O)N(Cc3ccccc3)C(=O)C2=O)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H23N3O6/c1-16-12-20(17(2)29(16)19-8-9-22-23(13-19)35-11-10-34-22)21(30)15-28-25(32)24(31)27(26(28)33)14-18-6-4-3-5-7-18/h3-9,12-13H,10-11,14-15H2,1-2H3
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n/an/an/an/a 1.50E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM71514
PNG
(6-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl...)
Show SMILES COc1cccc(NC(=O)c2cnc(SCC(=O)NCC3CCCO3)n(C)c2=O)c1
Show InChI InChI=1S/C20H24N4O5S/c1-24-19(27)16(18(26)23-13-5-3-6-14(9-13)28-2)11-22-20(24)30-12-17(25)21-10-15-7-4-8-29-15/h3,5-6,9,11,15H,4,7-8,10,12H2,1-2H3,(H,21,25)(H,23,26)
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n/an/an/an/a 495n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79458
PNG
(3-[(5E)-5-(3-ethoxybenzylidene)-4-keto-2-thioxo-th...)
Show SMILES CCOc1cccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)c1
Show InChI InChI=1S/C15H15NO4S2/c1-2-20-11-5-3-4-10(8-11)9-12-14(19)16(15(21)22-12)7-6-13(17)18/h3-5,8-9H,2,6-7H2,1H3,(H,17,18)/b12-9+
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n/an/an/an/a 2.60E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79439
PNG
(3-[(5E)-4-oxidanylidene-5-[(3-phenylmethoxyphenyl)...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2cccc(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C20H17NO4S2/c22-18(23)9-10-21-19(24)17(27-20(21)26)12-15-7-4-8-16(11-15)25-13-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,22,23)/b17-12+
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n/an/an/an/a 1.50E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM79451
PNG
(4-(1H-benzimidazol-2-ylthio)-7-(4-methylpiperazino...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Sc2nc3ccccc3[nH]2)c2nsnc12
Show InChI InChI=1S/C18H18N6O2S3/c1-23-8-10-24(11-9-23)29(25,26)15-7-6-14(16-17(15)22-28-21-16)27-18-19-12-4-2-3-5-13(12)20-18/h2-7H,8-11H2,1H3,(H,19,20)
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n/an/an/an/a 7.60E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM61891
PNG
(1-(6-Chloro-benzothiazol-2-yl)-4-(furan-2-carbonyl...)
Show SMILES Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
Show InChI InChI=1S/C20H11ClN2O5S/c21-10-5-6-11-14(9-10)29-20(22-11)23-16(12-3-1-7-27-12)15(18(25)19(23)26)17(24)13-4-2-8-28-13/h1-9,15-16H
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n/an/an/an/a 700n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM51273
PNG
(3-Benzoyl-5-(2-methoxy-phenyl)-1-p-tolyl-3a,6a-dih...)
Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C26H21N3O4/c1-16-12-14-18(15-13-16)29-23-21(22(27-29)24(30)17-8-4-3-5-9-17)25(31)28(26(23)32)19-10-6-7-11-20(19)33-2/h3-15,27,32H,1-2H3
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n/an/an/an/a 1.70E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QC020R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%