BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'koo' and Initial = 'bw'   
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 alpha


(Homo sapiens (Human))
BDBM50213177
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(propylcarbamothioy...)
Show SMILES CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C24H31NO4S/c1-3-16-25-24(30)29-21(20-8-6-5-7-9-20)15-14-18-10-12-19(13-11-18)17-22(23(26)27)28-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3,(H,25,30)(H,26,27)/t21?,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.94E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213178
PNG
((2S)-3-(4-(3-((cyclohexylmethyl)carbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H37NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h4,7-8,11-16,23,25-26H,2-3,5-6,9-10,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.07E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213179
PNG
((2R)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213180
PNG
((2S)-2-ethoxy-3-(4-(3-(ethylcarbamothioyloxy)-3-ph...)
Show SMILES CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-3-24-23(29)28-20(19-8-6-5-7-9-19)15-14-17-10-12-18(13-11-17)16-21(22(25)26)27-4-2/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,29)(H,25,26)/t20?,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.39E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213181
PNG
((2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(O)=O |w:11.11|
Show InChI InChI=1S/C20H24O4/c1-2-24-19(20(22)23)14-16-10-8-15(9-11-16)12-13-18(21)17-6-4-3-5-7-17/h3-11,18-19,21H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213180
PNG
((2S)-2-ethoxy-3-(4-(3-(ethylcarbamothioyloxy)-3-ph...)
Show SMILES CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-3-24-23(29)28-20(19-8-6-5-7-9-19)15-14-17-10-12-18(13-11-17)16-21(22(25)26)27-4-2/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,29)(H,25,26)/t20?,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.04E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213182
PNG
((2S)-3-(4-(2-(benzylcarbamothioyloxy)-2-phenyletho...)
Show SMILES CCO[C@@H](Cc1ccc(OCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO5S/c1-2-31-24(26(29)30)17-20-13-15-23(16-14-20)32-19-25(22-11-7-4-8-12-22)33-27(34)28-18-21-9-5-3-6-10-21/h3-16,24-25H,2,17-19H2,1H3,(H,28,34)(H,29,30)/t24-,25?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.21E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.46E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213177
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(propylcarbamothioy...)
Show SMILES CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C24H31NO4S/c1-3-16-25-24(30)29-21(20-8-6-5-7-9-20)15-14-18-10-12-19(13-11-18)17-22(23(26)27)28-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3,(H,25,30)(H,26,27)/t21?,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.48E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213183
PNG
((2S)-3-(4-(3-(butylcarbamothioyloxy)-3-phenylpropy...)
Show SMILES CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H33NO4S/c1-3-5-17-26-25(31)30-22(21-9-7-6-8-10-21)16-15-19-11-13-20(14-12-19)18-23(24(27)28)29-4-2/h6-14,22-23H,3-5,15-18H2,1-2H3,(H,26,31)(H,27,28)/t22?,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.60E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213184
PNG
((2S)-3-(4-(3-(benzylcarbamoyloxy)-3-phenylpropyl)p...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO5/c1-2-33-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)34-28(32)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,32)(H,30,31)/t25?,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.42E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213184
PNG
((2S)-3-(4-(3-(benzylcarbamoyloxy)-3-phenylpropyl)p...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO5/c1-2-33-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)34-28(32)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,32)(H,30,31)/t25?,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.05E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213185
PNG
((2S)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 580n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213186
PNG
((2R)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213187
PNG
((2R)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.05E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213189
PNG
((2S)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 490n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.48E+5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213188
PNG
((2S)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213185
PNG
((2S)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213190
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(phenylcarbamothioy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)Nc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO4S/c1-2-31-25(26(29)30)19-21-15-13-20(14-16-21)17-18-24(22-9-5-3-6-10-22)32-27(33)28-23-11-7-4-8-12-23/h3-16,24-25H,2,17-19H2,1H3,(H,28,33)(H,29,30)/t24?,25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.25E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213183
PNG
((2S)-3-(4-(3-(butylcarbamothioyloxy)-3-phenylpropy...)
Show SMILES CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H33NO4S/c1-3-5-17-26-25(31)30-22(21-9-7-6-8-10-21)16-15-19-11-13-20(14-12-19)18-23(24(27)28)29-4-2/h6-14,22-23H,3-5,15-18H2,1-2H3,(H,26,31)(H,27,28)/t22?,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.26E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213182
PNG
((2S)-3-(4-(2-(benzylcarbamothioyloxy)-2-phenyletho...)
Show SMILES CCO[C@@H](Cc1ccc(OCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO5S/c1-2-31-24(26(29)30)17-20-13-15-23(16-14-20)32-19-25(22-11-7-4-8-12-22)33-27(34)28-18-21-9-5-3-6-10-21/h3-16,24-25H,2,17-19H2,1H3,(H,28,34)(H,29,30)/t24-,25?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.17E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213179
PNG
((2R)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213191
PNG
((S)-3-(4-(3-(benzylcarbamothioyloxy)propyl)phenyl)...)
Show SMILES CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO4S/c1-2-26-20(21(24)25)15-18-12-10-17(11-13-18)9-6-14-27-22(28)23-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,28)(H,24,25)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213188
PNG
((2S)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.27E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.93E+5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213178
PNG
((2S)-3-(4-(3-((cyclohexylmethyl)carbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H37NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h4,7-8,11-16,23,25-26H,2-3,5-6,9-10,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.06E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213186
PNG
((2R)-3-(4-(3-(benzylcarbamothioyloxy)-3-phenylprop...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C28H31NO4S/c1-2-32-26(27(30)31)19-22-15-13-21(14-16-22)17-18-25(24-11-7-4-8-12-24)33-28(34)29-20-23-9-5-3-6-10-23/h3-16,25-26H,2,17-20H2,1H3,(H,29,34)(H,30,31)/t25?,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213190
PNG
((2S)-2-ethoxy-3-(4-(3-phenyl-3-(phenylcarbamothioy...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)Nc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H29NO4S/c1-2-31-25(26(29)30)19-21-15-13-20(14-16-21)17-18-24(22-9-5-3-6-10-22)32-27(33)28-23-11-7-4-8-12-23/h3-16,24-25H,2,17-19H2,1H3,(H,28,33)(H,29,30)/t24?,25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.58E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213191
PNG
((S)-3-(4-(3-(benzylcarbamothioyloxy)propyl)phenyl)...)
Show SMILES CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO4S/c1-2-26-20(21(24)25)15-18-12-10-17(11-13-18)9-6-14-27-22(28)23-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,28)(H,24,25)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.47E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213181
PNG
((2S)-2-ethoxy-3-(4-(3-hydroxy-3-phenylpropyl)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(O)=O |w:11.11|
Show InChI InChI=1S/C20H24O4/c1-2-24-19(20(22)23)14-16-10-8-15(9-11-16)12-13-18(21)17-6-4-3-5-7-17/h3-11,18-19,21H,2,12-14H2,1H3,(H,22,23)/t18?,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213189
PNG
((2S)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 880n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213187
PNG
((2R)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...)
Show SMILES CCO[C@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.77E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs


Bioorg Med Chem Lett 17: 3595-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.057
BindingDB Entry DOI: 10.7270/Q2BV7GB8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.00E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264340
PNG
((S)-3-(3-((E)-1-Benzyloxyiminoethyl)phenyl)-2-etho...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C20H23NO4/c1-3-24-19(20(22)23)13-17-10-7-11-18(12-17)15(2)21-25-14-16-8-5-4-6-9-16/h4-12,19H,3,13-14H2,1-2H3,(H,22,23)/b21-15+/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 121n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264339
PNG
((R)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol...)
Show SMILES CCO[C@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.51E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264539
PNG
((R)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl...)
Show SMILES CCO[C@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.14E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264538
PNG
((S)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.85E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264537
PNG
((S)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.93E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264303
PNG
((S)-3-(3-((E)-1-(2-Chlorobenzyloxyimino)ethyl)phen...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-7-6-9-16(11-15)14(2)22-26-13-17-8-4-5-10-18(17)21/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264302
PNG
((S)-3-(3-((E)-1-(3-Chlorobenzyloxyimino)ethyl)phen...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1cccc(Cl)c1)C(O)=O |r|
Show InChI InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-6-4-8-17(10-15)14(2)22-26-13-16-7-5-9-18(21)11-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264508
PNG
((S)-2-Ethoxy-3-(3-(5-(4-(tert-butylphenyl)-4,5-dih...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(cc1)C(C)(C)C)C(O)=O |r,t:12|
Show InChI InChI=1S/C24H29NO4/c1-5-28-22(23(26)27)14-16-7-6-8-18(13-16)20-15-21(29-25-20)17-9-11-19(12-10-17)24(2,3)4/h6-13,21-22H,5,14-15H2,1-4H3,(H,26,27)/t21?,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.73E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264507
PNG
((S)-2-Ethoxy-3-(3-(5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OC)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO5/c1-3-26-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(27-22-18)15-7-9-17(25-2)10-8-15/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.19E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264506
PNG
((S)-2-Ethoxy-3-(3-(5-(4-methanesulfonyloxyphenyl)-...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OS(C)(=O)=O)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO7S/c1-3-27-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(28-22-18)15-7-9-17(10-8-15)29-30(2,25)26/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.81E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264505
PNG
((S)-2-Ethoxy-3-(3-(5-(4-hydroxyphenyl)-4,5-dihydro...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(O)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H21NO5/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-21-17)14-6-8-16(22)9-7-14/h3-10,18-19,22H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.86E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264504
PNG
((S)-2-Ethoxy-3-(3-(5-(4-iodophenyl)-4,5-dihydroiso...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(I)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20INO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 606n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264476
PNG
((S)-2-Ethoxy-3-(3-(5-(4-bromophenyl)-4,5-dihydrois...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(Br)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20BrNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 740n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264301
PNG
((S)-2-Ethoxy-3-(3-(5-(4-chlorophenyl)-4,5-dihydroi...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(Cl)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20ClNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 816n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50264475
PNG
((S)-2-Ethoxy-3-(3-(5-(4-fluorophenyl)-4,5-dihydroi...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(F)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20FNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.16E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 95 total )  |  Next  |  Last  >>
Jump to: