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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'blanchard' and Initial = 'sg'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085048
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418568
PNG
(CHEMBL146822)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-31(28)41-33)19-20-40-25-17-15-24(16-18-25)21-29(32(38)39)34-27-12-6-5-11-26(27)30(37)22-23-9-3-2-4-10-23/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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3.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50000012
PNG
(CHEMBL147826)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O5/c1-34(31-33-26-12-6-8-14-29(26)39-31)19-20-37-23-17-15-22(16-18-23)21-27(30(35)36)32-25-11-5-7-13-28(25)38-24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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3.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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4n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50064451
PNG
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26)
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4.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418575
PNG
(CHEMBL358137)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3C(=O)c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H27N3O6/c1-36(33-35-25-10-4-5-12-28(25)42-33)17-18-41-21-15-13-20(14-16-21)19-27(32(39)40)34-26-11-6-9-24-29(26)31(38)23-8-3-2-7-22(23)30(24)37/h2-16,27,34H,17-19H2,1H3,(H,39,40)
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5.10n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418563
PNG
(CHEMBL148301)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C36H37NO6/c1-22-23(2)34-28(24(3)32(22)38)18-19-36(4,43-34)21-42-27-16-14-25(15-17-27)20-31(35(40)41)37-30-13-9-8-12-29(30)33(39)26-10-6-5-7-11-26/h5-17,31,37-38H,18-21H2,1-4H3,(H,40,41)/t31-,36?/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418571
PNG
(CHEMBL346219)
Show SMILES CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)nc1
Show InChI InChI=1S/C31H30N2O4/c1-2-22-12-15-25(32-21-22)18-19-37-26-16-13-23(14-17-26)20-29(31(35)36)33-28-11-7-6-10-27(28)30(34)24-8-4-3-5-9-24/h3-17,21,29,33H,2,18-20H2,1H3,(H,35,36)/t29-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418557
PNG
(CHEMBL1785028)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418557
PNG
(CHEMBL1785028)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50209301
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1
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16.1n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290271
PNG
(CHEMBL432747 | Nonanoic acid {2-[4-(2,4-dioxo-thia...)
Show SMILES CCCCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C22H32N2O4S/c1-3-4-5-6-7-8-9-20(25)24(2)14-15-28-18-12-10-17(11-13-18)16-19-21(26)23-22(27)29-19/h10-13,26H,3-9,14-16H2,1-2H3,(H,23,27)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290280
PNG
((E)-Hepta-2,6-dienoic acid {2-[4-(2,4-dioxo-thiazo...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)\C=C\CCC=C
Show InChI InChI=1S/C20H24N2O4S/c1-3-4-5-6-7-18(23)22(2)12-13-26-16-10-8-15(9-11-16)14-17-19(24)21-20(25)27-17/h3,6-11,24H,1,4-5,12-14H2,2H3,(H,21,25)/b7-6+
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290283
PNG
(CHEMBL82041 | Decanoic acid {2-[4-(2,4-dioxo-thiaz...)
Show SMILES CCCCCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C23H34N2O4S/c1-3-4-5-6-7-8-9-10-21(26)25(2)15-16-29-19-13-11-18(12-14-19)17-20-22(27)24-23(28)30-20/h11-14,27H,3-10,15-17H2,1-2H3,(H,24,28)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50000010
PNG
(CHEMBL146614)
Show SMILES CN(CCOc1ccc(CC(NCc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-30(28)41-33)19-20-40-26-17-15-23(16-18-26)21-29(32(38)39)34-22-25-11-5-6-12-27(25)31(37)24-9-3-2-4-10-24/h2-18,29,34H,19-22H2,1H3,(H,38,39)
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28n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418573
PNG
(CHEMBL147694)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H28N2O6/c1-34(32-33-26-12-6-8-14-28(26)40-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)39-27-13-7-5-11-25(27)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)
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32n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418566
PNG
(CHEMBL146322)
Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H28N2O5S/c1-34(32-33-26-12-6-7-13-27(26)39-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)40-28-14-8-5-11-25(28)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)
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33n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50044896
PNG
(CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1
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34.9n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50209301
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1
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37n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
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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47n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1/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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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47n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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48n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290275
PNG
(CHEMBL83875 | Octanoic acid {2-[4-(2,4-dioxo-thiaz...)
Show SMILES CCCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C21H30N2O4S/c1-3-4-5-6-7-8-19(24)23(2)13-14-27-17-11-9-16(10-12-17)15-18-20(25)22-21(26)28-18/h9-12,25H,3-8,13-15H2,1-2H3,(H,22,26)
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
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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49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418562
PNG
(CHEMBL357479)
Show SMILES CC1(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)CCCCC1
Show InChI InChI=1S/C30H33NO4/c1-30(18-8-3-9-19-30)21-35-24-16-14-22(15-17-24)20-27(29(33)34)31-26-13-7-6-12-25(26)28(32)23-10-4-2-5-11-23/h2,4-7,10-17,27,31H,3,8-9,18-21H2,1H3,(H,33,34)/t27-/m0/s1
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51n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290281
PNG
(CHEMBL84181 | Heptanoic acid {2-[4-(2,4-dioxo-thia...)
Show SMILES CCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C20H28N2O4S/c1-3-4-5-6-7-18(23)22(2)12-13-26-16-10-8-15(9-11-16)14-17-19(24)21-20(25)27-17/h8-11,24H,3-7,12-14H2,1-2H3,(H,21,25)
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50044896
PNG
(CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1
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63n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418567
PNG
(CHEMBL148060)
Show SMILES CN(CCOc1ccc(CC(Nc2cccc3-c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H27N3O5/c1-35(32-34-25-10-4-5-12-28(25)40-32)17-18-39-21-15-13-20(14-16-21)19-27(31(37)38)33-26-11-6-9-23-22-7-2-3-8-24(22)30(36)29(23)26/h2-16,27,33H,17-19H2,1H3,(H,37,38)
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85n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418574
PNG
(CHEMBL146123)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2S(=O)(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H29N3O6S/c1-34(31-33-25-11-5-7-13-28(25)40-31)19-20-39-23-17-15-22(16-18-23)21-27(30(35)36)32-26-12-6-8-14-29(26)41(37,38)24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)
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123n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290282
PNG
(CHEMBL84491 | Decanoic acid {2-[4-(2,4-dioxo-thiaz...)
Show SMILES CCCCCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C22H32N2O4S/c1-2-3-4-5-6-7-8-9-20(25)23-14-15-28-18-12-10-17(11-13-18)16-19-21(26)24-22(27)29-19/h10-13,26H,2-9,14-16H2,1H3,(H,23,25)(H,24,27)
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50217324
PNG
(CHEMBL331798)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
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148n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418564
PNG
(CHEMBL423026)
Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1
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158n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor delta


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418572
PNG
(CHEMBL359377)
Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C29H25NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-18,27,30H,19-20H2,(H,32,33)/t27-/m0/s1
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162n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50418569
PNG
(CHEMBL145829)
Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(N=N)c2ccccc2)C(O)=O)cc1)c1ccccn1
Show InChI InChI=1S/C30H31N5O3/c1-35(28-13-7-8-18-32-28)19-20-38-24-16-14-22(15-17-24)21-27(30(36)37)33-26-12-6-5-11-25(26)29(34-31)23-9-3-2-4-10-23/h2-18,27,29,31,33H,19-21H2,1H3,(H,36,37)
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162n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290276
PNG
(CHEMBL81985 | Hexanoic acid {2-[4-(2,4-dioxo-thiaz...)
Show SMILES CCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C19H26N2O4S/c1-3-4-5-6-17(22)21(2)11-12-25-15-9-7-14(8-10-15)13-16-18(23)20-19(24)26-16/h7-10,23H,3-6,11-13H2,1-2H3,(H,20,24)
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50217325
PNG
(CHEMBL275682)
Show SMILES Cn1c(c(CCc2ccccc2)c2cc(OCC(O)=O)ccc12)-c1ccccc1
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214n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290285
PNG
(CHEMBL83924 | Nonanoic acid {2-[4-(2,4-dioxo-thiaz...)
Show SMILES CCCCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C21H30N2O4S/c1-2-3-4-5-6-7-8-19(24)22-13-14-27-17-11-9-16(10-12-17)15-18-20(25)23-21(26)28-18/h9-12,25H,2-8,13-15H2,1H3,(H,22,24)(H,23,26)
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50290284
PNG
(CHEMBL79359 | Octanoic acid {2-[4-(2,4-dioxo-thiaz...)
Show SMILES CCCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C20H28N2O4S/c1-2-3-4-5-6-7-18(23)21-12-13-26-16-10-8-15(9-11-16)14-17-19(24)22-20(25)27-17/h8-11,24H,2-7,12-14H2,1H3,(H,21,23)(H,22,25)
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290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...


Bioorg Med Chem Lett 7: 2491-2496 (1997)


Article DOI: 10.1016/S0960-894X(97)10017-8
BindingDB Entry DOI: 10.7270/Q2DB81VF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50088494
PNG
(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O
Show InChI InChI=1/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)/t15-/s2
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302n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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302n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
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