Found 27 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373023
(CHEMBL404439)Show SMILES Cc1oc(nc1Cc1cccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)c1)-c1ccccc1 |wU:16.21,13.13,wD:16.17,(-2.13,-25.35,;-3.43,-26.18,;-4.87,-25.64,;-5.83,-26.84,;-4.98,-28.12,;-3.49,-27.69,;-2.24,-28.62,;-.83,-28.01,;-.83,-26.46,;.5,-25.69,;1.84,-26.46,;1.84,-28.01,;3.18,-28.78,;4.51,-28.01,;4.49,-26.46,;5.83,-25.68,;7.18,-26.44,;8.51,-27.22,;7.19,-27.99,;5.86,-28.77,;7.19,-24.9,;8.53,-24.14,;5.86,-24.12,;.5,-28.78,;-7.37,-26.83,;-8.14,-28.17,;-9.68,-28.17,;-10.45,-26.84,;-9.68,-25.51,;-8.14,-25.51,)| Show InChI InChI=1S/C24H25NO5/c1-16-21(25-22(30-16)20-9-4-3-5-10-20)13-18-8-6-7-17(11-18)12-19-14-28-24(2,23(26)27)29-15-19/h3-11,19H,12-15H2,1-2H3,(H,26,27)/t19-,24+ | 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/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28700
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM50373024
(CHEMBL447533)Show SMILES CC[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:5.5,2.26,wD:2.1,(7.12,-3.74,;5.79,-2.96,;5.81,-1.42,;5.81,.13,;4.46,.91,;3.13,.13,;1.9,1.05,;.48,.44,;-.75,1.37,;-2.17,.76,;-3.41,1.69,;-4.9,1.26,;-5.75,2.54,;-4.79,3.74,;-3.36,3.2,;-2.05,4.03,;-7.29,2.55,;-8.06,1.21,;-9.6,1.21,;-10.38,2.54,;-9.6,3.87,;-8.07,3.87,;3.13,-1.42,;4.46,-2.19,;7.15,-.67,;8.48,-1.45,;7.17,.88,)| Show InChI InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)/t16-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at mouse PPARalpha by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50373025
(CHEMBL401811)Show InChI InChI=1S/C20H27NO4/c1-15-17(21-18(25-15)16-11-7-6-8-12-16)13-9-4-5-10-14-24-20(2,3)19(22)23/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARdelta expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373022
(CHEMBL256013)Show SMILES Cc1oc(nc1Cc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |wU:15.20,12.12,wD:15.16,(22.78,-26.38,;21.47,-27.22,;20.03,-26.67,;19.08,-27.87,;19.93,-29.16,;21.42,-28.73,;22.66,-29.65,;24.08,-29.05,;25.41,-29.82,;26.75,-29.04,;26.74,-27.49,;28.07,-26.72,;29.41,-27.48,;30.76,-26.74,;32.09,-27.55,;32.05,-29.1,;31.99,-30.64,;30.68,-29.83,;29.37,-29.03,;33.41,-28.38,;34.72,-29.2,;33.47,-26.84,;25.4,-26.73,;24.08,-27.5,;17.54,-27.87,;16.76,-29.21,;15.23,-29.2,;14.45,-27.87,;15.23,-26.54,;16.76,-26.54,)| Show InChI InChI=1S/C24H25NO5/c1-16-21(25-22(30-16)20-6-4-3-5-7-20)13-18-10-8-17(9-11-18)12-19-14-28-24(2,23(26)27)29-15-19/h3-11,19H,12-15H2,1-2H3,(H,26,27)/t19-,24+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373024
(CHEMBL447533)Show SMILES CC[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:5.5,2.26,wD:2.1,(7.12,-3.74,;5.79,-2.96,;5.81,-1.42,;5.81,.13,;4.46,.91,;3.13,.13,;1.9,1.05,;.48,.44,;-.75,1.37,;-2.17,.76,;-3.41,1.69,;-4.9,1.26,;-5.75,2.54,;-4.79,3.74,;-3.36,3.2,;-2.05,4.03,;-7.29,2.55,;-8.06,1.21,;-9.6,1.21,;-10.38,2.54,;-9.6,3.87,;-8.07,3.87,;3.13,-1.42,;4.46,-2.19,;7.15,-.67,;8.48,-1.45,;7.17,.88,)| Show InChI InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)/t16-,21+ | 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/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373027
(CHEMBL401712)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.14,wD:13.18,(-2.8,-33.4,;-4.11,-34.24,;-5.55,-33.7,;-6.5,-34.9,;-5.65,-36.18,;-4.16,-35.75,;-2.92,-36.68,;-1.5,-36.07,;-.27,-37,;1.15,-36.39,;2.38,-37.31,;3.71,-36.53,;5.05,-37.31,;5.05,-38.86,;5.04,-40.4,;3.71,-39.63,;2.38,-38.86,;6.4,-38.1,;7.73,-38.89,;6.42,-36.56,;-8.04,-34.89,;-8.82,-36.23,;-10.35,-36.23,;-11.13,-34.89,;-10.35,-33.57,;-8.82,-33.57,)| Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20- | 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/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373020
(CHEMBL270835)Show SMILES Cc1oc(nc1CCCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:11.11,14.19,wD:14.15,(22.87,-3.47,;21.57,-4.3,;20.13,-3.76,;19.17,-4.96,;20.02,-6.24,;21.51,-5.82,;22.76,-6.74,;24.17,-6.14,;25.41,-7.06,;26.82,-6.45,;28.06,-7.38,;29.48,-6.77,;29.48,-5.22,;30.81,-4.45,;32.16,-5.22,;33.48,-5.99,;32.16,-6.77,;30.81,-7.54,;32.18,-3.68,;33.52,-2.93,;30.86,-2.89,;17.63,-4.96,;16.86,-6.29,;15.32,-6.29,;14.55,-4.96,;15.32,-3.63,;16.86,-3.63,)| Show InChI InChI=1S/C21H27NO5/c1-15-18(22-19(27-15)17-10-6-4-7-11-17)12-8-3-5-9-16-13-25-21(2,20(23)24)26-14-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3,(H,23,24)/t16-,21+ | 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/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373023
(CHEMBL404439)Show SMILES Cc1oc(nc1Cc1cccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)c1)-c1ccccc1 |wU:16.21,13.13,wD:16.17,(-2.13,-25.35,;-3.43,-26.18,;-4.87,-25.64,;-5.83,-26.84,;-4.98,-28.12,;-3.49,-27.69,;-2.24,-28.62,;-.83,-28.01,;-.83,-26.46,;.5,-25.69,;1.84,-26.46,;1.84,-28.01,;3.18,-28.78,;4.51,-28.01,;4.49,-26.46,;5.83,-25.68,;7.18,-26.44,;8.51,-27.22,;7.19,-27.99,;5.86,-28.77,;7.19,-24.9,;8.53,-24.14,;5.86,-24.12,;.5,-28.78,;-7.37,-26.83,;-8.14,-28.17,;-9.68,-28.17,;-10.45,-26.84,;-9.68,-25.51,;-8.14,-25.51,)| Show InChI InChI=1S/C24H25NO5/c1-16-21(25-22(30-16)20-9-4-3-5-10-20)13-18-8-6-7-17(11-18)12-19-14-28-24(2,23(26)27)29-15-19/h3-11,19H,12-15H2,1-2H3,(H,26,27)/t19-,24+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373026
(CHEMBL271873)Show SMILES CC(C)C[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:7.7,4.28,wD:4.3,(30.14,-5.75,;30.16,-4.21,;31.5,-3.45,;28.83,-3.42,;28.85,-1.88,;28.85,-.33,;27.5,.45,;26.17,-.33,;24.94,.59,;23.52,-.02,;22.29,.91,;20.87,.3,;19.63,1.22,;18.14,.8,;17.29,2.08,;18.25,3.28,;19.68,2.74,;20.99,3.57,;15.75,2.09,;14.97,.75,;13.44,.75,;12.66,2.08,;13.44,3.41,;14.97,3.41,;26.17,-1.88,;27.5,-2.65,;30.19,-1.13,;31.52,-1.91,;30.21,.41,)| Show InChI InChI=1S/C23H31NO5/c1-16(2)13-23(22(25)26)27-14-18(15-28-23)9-7-8-12-20-17(3)29-21(24-20)19-10-5-4-6-11-19/h4-6,10-11,16,18H,7-9,12-15H2,1-3H3,(H,25,26)/t18-,23+ | 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/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Mus musculus) | BDBM50373024
(CHEMBL447533)Show SMILES CC[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:5.5,2.26,wD:2.1,(7.12,-3.74,;5.79,-2.96,;5.81,-1.42,;5.81,.13,;4.46,.91,;3.13,.13,;1.9,1.05,;.48,.44,;-.75,1.37,;-2.17,.76,;-3.41,1.69,;-4.9,1.26,;-5.75,2.54,;-4.79,3.74,;-3.36,3.2,;-2.05,4.03,;-7.29,2.55,;-8.06,1.21,;-9.6,1.21,;-10.38,2.54,;-9.6,3.87,;-8.07,3.87,;3.13,-1.42,;4.46,-2.19,;7.15,-.67,;8.48,-1.45,;7.17,.88,)| Show InChI InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)/t16-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at mouse PPARgamma by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28701
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28701
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373025
(CHEMBL401811)Show InChI InChI=1S/C20H27NO4/c1-15-17(21-18(25-15)16-11-7-6-8-12-16)13-9-4-5-10-14-24-20(2,3)19(22)23/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373022
(CHEMBL256013)Show SMILES Cc1oc(nc1Cc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |wU:15.20,12.12,wD:15.16,(22.78,-26.38,;21.47,-27.22,;20.03,-26.67,;19.08,-27.87,;19.93,-29.16,;21.42,-28.73,;22.66,-29.65,;24.08,-29.05,;25.41,-29.82,;26.75,-29.04,;26.74,-27.49,;28.07,-26.72,;29.41,-27.48,;30.76,-26.74,;32.09,-27.55,;32.05,-29.1,;31.99,-30.64,;30.68,-29.83,;29.37,-29.03,;33.41,-28.38,;34.72,-29.2,;33.47,-26.84,;25.4,-26.73,;24.08,-27.5,;17.54,-27.87,;16.76,-29.21,;15.23,-29.2,;14.45,-27.87,;15.23,-26.54,;16.76,-26.54,)| Show InChI InChI=1S/C24H25NO5/c1-16-21(25-22(30-16)20-6-4-3-5-7-20)13-18-10-8-17(9-11-18)12-19-14-28-24(2,23(26)27)29-15-19/h3-11,19H,12-15H2,1-2H3,(H,26,27)/t19-,24+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373019
(CHEMBL270836)Show SMILES Cc1oc(nc1Cc1cccc(c1)[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:13.14,16.22,wD:16.18,(-2.25,-12.14,;-3.56,-12.98,;-5,-12.44,;-5.96,-13.64,;-5.11,-14.92,;-3.61,-14.49,;-2.37,-15.42,;-.96,-14.81,;-.96,-13.26,;.37,-12.49,;1.71,-13.26,;1.72,-14.81,;.37,-15.58,;2.95,-15.73,;4.28,-14.95,;5.62,-15.73,;5.62,-17.28,;5.61,-18.82,;4.28,-18.05,;2.95,-17.28,;6.97,-16.52,;8.3,-17.31,;6.99,-14.98,;-7.5,-13.63,;-8.27,-14.97,;-9.81,-14.97,;-10.58,-13.64,;-9.81,-12.31,;-8.27,-12.31,)| Show InChI InChI=1S/C23H23NO5/c1-15-20(24-21(29-15)17-8-4-3-5-9-17)12-16-7-6-10-18(11-16)19-13-27-23(2,22(25)26)28-14-19/h3-11,19H,12-14H2,1-2H3,(H,25,26)/t19-,23+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373021
(CHEMBL401616)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)| Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373021
(CHEMBL401616)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)| Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM50373021
(CHEMBL401616)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)| Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
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Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at mouse PPARalpha by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28700
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373027
(CHEMBL401712)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.14,wD:13.18,(-2.8,-33.4,;-4.11,-34.24,;-5.55,-33.7,;-6.5,-34.9,;-5.65,-36.18,;-4.16,-35.75,;-2.92,-36.68,;-1.5,-36.07,;-.27,-37,;1.15,-36.39,;2.38,-37.31,;3.71,-36.53,;5.05,-37.31,;5.05,-38.86,;5.04,-40.4,;3.71,-39.63,;2.38,-38.86,;6.4,-38.1,;7.73,-38.89,;6.42,-36.56,;-8.04,-34.89,;-8.82,-36.23,;-10.35,-36.23,;-11.13,-34.89,;-10.35,-33.57,;-8.82,-33.57,)| Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20- | PDB
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| CHEMBL
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| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373020
(CHEMBL270835)Show SMILES Cc1oc(nc1CCCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:11.11,14.19,wD:14.15,(22.87,-3.47,;21.57,-4.3,;20.13,-3.76,;19.17,-4.96,;20.02,-6.24,;21.51,-5.82,;22.76,-6.74,;24.17,-6.14,;25.41,-7.06,;26.82,-6.45,;28.06,-7.38,;29.48,-6.77,;29.48,-5.22,;30.81,-4.45,;32.16,-5.22,;33.48,-5.99,;32.16,-6.77,;30.81,-7.54,;32.18,-3.68,;33.52,-2.93,;30.86,-2.89,;17.63,-4.96,;16.86,-6.29,;15.32,-6.29,;14.55,-4.96,;15.32,-3.63,;16.86,-3.63,)| Show InChI InChI=1S/C21H27NO5/c1-15-18(22-19(27-15)17-10-6-4-7-11-17)12-8-3-5-9-16-13-25-21(2,20(23)24)26-14-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3,(H,23,24)/t16-,21+ | PDB
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| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28700
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARdelta expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373025
(CHEMBL401811)Show InChI InChI=1S/C20H27NO4/c1-15-17(21-18(25-15)16-11-7-6-8-12-16)13-9-4-5-10-14-24-20(2,3)19(22)23/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,22,23) | 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/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373026
(CHEMBL271873)Show SMILES CC(C)C[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:7.7,4.28,wD:4.3,(30.14,-5.75,;30.16,-4.21,;31.5,-3.45,;28.83,-3.42,;28.85,-1.88,;28.85,-.33,;27.5,.45,;26.17,-.33,;24.94,.59,;23.52,-.02,;22.29,.91,;20.87,.3,;19.63,1.22,;18.14,.8,;17.29,2.08,;18.25,3.28,;19.68,2.74,;20.99,3.57,;15.75,2.09,;14.97,.75,;13.44,.75,;12.66,2.08,;13.44,3.41,;14.97,3.41,;26.17,-1.88,;27.5,-2.65,;30.19,-1.13,;31.52,-1.91,;30.21,.41,)| Show InChI InChI=1S/C23H31NO5/c1-16(2)13-23(22(25)26)27-14-18(15-28-23)9-7-8-12-20-17(3)29-21(24-20)19-10-5-4-6-11-19/h4-6,10-11,16,18H,7-9,12-15H2,1-3H3,(H,25,26)/t18-,23+ | PDB
UniProtKB/SwissProt
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| CHEMBL
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PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373024
(CHEMBL447533)Show SMILES CC[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:5.5,2.26,wD:2.1,(7.12,-3.74,;5.79,-2.96,;5.81,-1.42,;5.81,.13,;4.46,.91,;3.13,.13,;1.9,1.05,;.48,.44,;-.75,1.37,;-2.17,.76,;-3.41,1.69,;-4.9,1.26,;-5.75,2.54,;-4.79,3.74,;-3.36,3.2,;-2.05,4.03,;-7.29,2.55,;-8.06,1.21,;-9.6,1.21,;-10.38,2.54,;-9.6,3.87,;-8.07,3.87,;3.13,-1.42,;4.46,-2.19,;7.15,-.67,;8.48,-1.45,;7.17,.88,)| Show InChI InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)/t16-,21+ | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28701
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARdelta expressed in monkey CV1 cells by transactivation assay |
Bioorg Med Chem Lett 18: 2128-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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