BindingDB logo
myBDB logout

PubMed code 22727448

Compile data set for download or QSAR
Found 16 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 gamma


(Homo sapiens (Human))
BDBM50386190
PNG
(CHEMBL2042805)
Show SMILES CCCCc1ccc2ccccc2c1CNC(=O)c1c2OC3=CC(=O)C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |r,t:23|
Show InChI InChI=1S/C32H31NO7/c1-5-6-9-19-13-12-18-10-7-8-11-20(18)21(19)16-33-31(38)27-24(39-4)14-23(36)28-29(27)40-25-15-22(35)26(17(2)34)30(37)32(25,28)3/h7-8,10-15,26,36H,5-6,9,16H2,1-4H3,(H,33,38)/t26?,32-/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 59n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386198
PNG
(CHEMBL2042813)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2ccc(F)cc12 |r,t:9|
Show InChI InChI=1S/C29H24FNO7/c1-13-5-6-15-7-8-16(30)9-17(15)18(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 65n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386196
PNG
(CHEMBL2042811)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2c(F)cccc12 |r,t:9|
Show InChI InChI=1S/C29H24FNO7/c1-13-8-9-16-15(6-5-7-18(16)30)17(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 16n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386188
PNG
(CHEMBL2042802)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C29H25NO7/c1-14-9-10-16-7-5-6-8-17(16)18(14)13-30-28(35)24-21(36-4)11-20(33)25-26(24)37-22-12-19(32)23(15(2)31)27(34)29(22,25)3/h5-12,23,33H,13H2,1-4H3,(H,30,35)/t23?,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 28n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386189
PNG
(CHEMBL2042804)
Show SMILES CCCc1ccc2ccccc2c1CNC(=O)c1c2OC3=CC(=O)C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |r,t:22|
Show InChI InChI=1S/C31H29NO7/c1-5-8-17-11-12-18-9-6-7-10-19(18)20(17)15-32-30(37)26-23(38-4)13-22(35)27-28(26)39-24-14-21(34)25(16(2)33)29(36)31(24,27)3/h6-7,9-14,25,35H,5,8,15H2,1-4H3,(H,32,37)/t25?,31-/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 43n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386195
PNG
(CHEMBL2042810)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)cc(F)c2ccccc12 |r,t:9|
Show InChI InChI=1S/C29H24FNO7/c1-13-9-18(30)16-8-6-5-7-15(16)17(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 4.80n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386192
PNG
(CHEMBL2042807)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2c(Cl)cccc12 |r,t:9|
Show InChI InChI=1S/C29H24ClNO7/c1-13-8-9-16-15(6-5-7-18(16)30)17(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 170n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386199
PNG
(CHEMBL2042814)
Show SMILES CCc1cc(F)c2ccccc2c1CNC(=O)c1c2OC3=CC(=O)C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |r,t:22|
Show InChI InChI=1S/C30H26FNO7/c1-5-15-10-19(31)17-9-7-6-8-16(17)18(15)13-32-29(37)25-22(38-4)11-21(35)26-27(25)39-23-12-20(34)24(14(2)33)28(36)30(23,26)3/h6-12,24,35H,5,13H2,1-4H3,(H,32,37)/t24?,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 0.940n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314948
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/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 180n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386199
PNG
(CHEMBL2042814)
Show SMILES CCc1cc(F)c2ccccc2c1CNC(=O)c1c2OC3=CC(=O)C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |r,t:22|
Show InChI InChI=1S/C30H26FNO7/c1-5-15-10-19(31)17-9-7-6-8-16(17)18(15)13-32-29(37)25-22(38-4)11-21(35)26-27(25)39-23-12-20(34)24(14(2)33)28(36)30(23,26)3/h6-12,24,35H,5,13H2,1-4H3,(H,32,37)/t24?,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of human GAL4-fused PPARgamma LBD expressed in COS7 cells co-expressing pG5luc by luciferase reporter gene based transactivation assay


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386191
PNG
(CHEMBL2042806)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)cc(Cl)c2ccccc12 |r,t:9|
Show InChI InChI=1S/C29H24ClNO7/c1-13-9-18(30)16-8-6-5-7-15(16)17(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 22n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386197
PNG
(CHEMBL2042812)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2cc(F)ccc12 |r,t:9|
Show InChI InChI=1S/C29H24FNO7/c1-13-5-6-15-9-16(30)7-8-17(15)18(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 27n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386187
PNG
(CHEMBL2042803)
Show SMILES CCc1ccc2ccccc2c1CNC(=O)c1c2OC3=CC(=O)C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |r,t:21|
Show InChI InChI=1S/C30H27NO7/c1-5-16-10-11-17-8-6-7-9-18(17)19(16)14-31-29(36)25-22(37-4)12-21(34)26-27(25)38-23-13-20(33)24(15(2)32)28(35)30(23,26)3/h6-13,24,34H,5,14H2,1-4H3,(H,31,36)/t24?,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 3.70n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
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 11n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386193
PNG
(CHEMBL2042808)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2cc(Cl)ccc12 |r,t:9|
Show InChI InChI=1S/C29H24ClNO7/c1-13-5-6-15-9-16(30)7-8-17(15)18(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 56n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50386194
PNG
(CHEMBL2042809)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1c(C)ccc2ccc(Cl)cc12 |r,t:9|
Show InChI InChI=1S/C29H24ClNO7/c1-13-5-6-15-7-8-16(30)9-17(15)18(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,23,34H,12H2,1-4H3,(H,31,36)/t23?,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 4.90n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene base...


Eur J Med Chem 54: 522-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.040
BindingDB Entry DOI: 10.7270/Q2CV4JS3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%