Found 58 hits with Last Name = 'ohmachi' and Initial = 's' 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 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
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
(Mus musculus) | BDBM50373910
(CHEMBL410704)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)c(F)c1 |wU:10.10,13.18,wD:13.14,(-1.93,-16.07,;-3.17,-16.97,;-4.64,-16.49,;-5.54,-17.74,;-4.64,-18.99,;-3.18,-18.51,;-1.93,-19.42,;-.52,-18.8,;.72,-19.7,;2.13,-19.08,;3.37,-19.99,;4.77,-19.35,;6.02,-20.27,;5.85,-21.8,;6.24,-23.29,;4.44,-22.42,;3.2,-21.51,;7.33,-21.4,;8.42,-22.47,;7.72,-19.91,;-7.09,-17.75,;-7.85,-16.42,;-9.38,-16.41,;-10.16,-17.74,;-11.7,-17.73,;-9.4,-19.07,;-10.18,-20.4,;-7.86,-19.08,)| Show InChI InChI=1S/C21H26FNO5/c1-13-8-9-16(10-17(13)22)19-23-18(14(2)28-19)7-5-4-6-15-11-26-21(3,20(24)25)27-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,24,25)/t15-,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 expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
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
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 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
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 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)) | 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)) | 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 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
Similars
| 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 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
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 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) |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 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
(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
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 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
(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 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)) | 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 | 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)) | 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 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)) | 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
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 PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM50225835
((2s,5s)-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-...)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |r,wU:10.10,13.18,wD:13.14,(.84,-5.21,;-.3,-6.25,;-1.81,-5.93,;-2.58,-7.27,;-1.54,-8.41,;-.13,-7.78,;1.21,-8.54,;2.54,-7.78,;3.88,-8.54,;5.21,-7.77,;6.55,-8.54,;7.87,-7.77,;9.2,-8.55,;9.2,-10.09,;10.74,-10.08,;7.87,-10.85,;6.54,-10.08,;9.19,-11.62,;10.52,-12.4,;7.86,-12.38,;-4.11,-7.44,;-5.01,-6.19,;-6.54,-6.36,;-7.17,-7.77,;-8.7,-7.93,;-6.25,-9.01,;-4.72,-8.84,)| Show InChI InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
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 mouse PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
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
UniProtKB/SwissProt
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 PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373906
(CHEMBL272175)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1C |wU:10.10,13.18,wD:13.14,(-2.98,-30.92,;-4.23,-31.82,;-5.7,-31.34,;-6.6,-32.59,;-5.7,-33.83,;-4.23,-33.36,;-2.99,-34.27,;-1.58,-33.64,;-.34,-34.55,;1.07,-33.93,;2.31,-34.83,;3.71,-34.2,;4.96,-35.12,;4.79,-36.65,;5.18,-38.13,;3.38,-37.27,;2.14,-36.36,;6.27,-36.24,;7.36,-37.32,;6.66,-34.76,;-8.14,-32.59,;-8.91,-31.27,;-10.44,-31.26,;-11.22,-32.59,;-12.76,-32.58,;-10.46,-33.92,;-8.92,-33.93,;-8.15,-35.26,)| Show InChI InChI=1S/C22H29NO5/c1-14-9-10-18(15(2)11-14)20-23-19(16(3)28-20)8-6-5-7-17-12-26-22(4,21(24)25)27-13-17/h9-11,17H,5-8,12-13H2,1-4H3,(H,24,25)/t17-,22+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373907
(CHEMBL271394)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)c(C)c1 |wU:10.10,13.18,wD:13.14,(18.77,-25.26,;17.52,-26.17,;16.06,-25.69,;15.15,-26.93,;16.05,-28.18,;17.52,-27.71,;18.76,-28.61,;20.17,-27.99,;21.42,-28.9,;22.82,-28.27,;24.07,-29.18,;25.47,-28.55,;26.71,-29.46,;26.55,-31,;26.93,-32.48,;25.13,-31.61,;23.9,-30.71,;28.02,-30.59,;29.11,-31.66,;28.41,-29.1,;13.61,-26.94,;12.85,-25.61,;11.32,-25.61,;10.54,-26.93,;9,-26.92,;11.3,-28.26,;10.52,-29.59,;12.84,-28.27,)| Show InChI InChI=1S/C22H29NO5/c1-14-9-10-18(11-15(14)2)20-23-19(16(3)28-20)8-6-5-7-17-12-26-22(4,21(24)25)27-13-17/h9-11,17H,5-8,12-13H2,1-4H3,(H,24,25)/t17-,22+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373908
(CHEMBL407950)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1C |wU:10.10,13.18,wD:13.14,(-2.86,-23.46,;-4.11,-24.36,;-5.57,-23.88,;-6.48,-25.13,;-5.58,-26.38,;-4.11,-25.9,;-2.87,-26.81,;-1.46,-26.19,;-.21,-27.09,;1.2,-26.47,;2.44,-27.38,;3.84,-26.75,;5.08,-27.66,;4.92,-29.19,;5.3,-30.68,;3.5,-29.81,;2.27,-28.9,;6.39,-28.79,;7.49,-29.86,;6.78,-27.3,;-8.02,-25.14,;-8.78,-23.81,;-10.31,-23.8,;-11.09,-25.13,;-10.33,-26.46,;-8.8,-26.47,;-8.03,-27.81,)| Show InChI InChI=1S/C21H27NO5/c1-14-8-4-6-10-17(14)19-22-18(15(2)27-19)11-7-5-9-16-12-25-21(3,20(23)24)26-13-16/h4,6,8,10,16H,5,7,9,11-13H2,1-3H3,(H,23,24)/t16-,21+ | PDB
UniProtKB/SwissProt
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 PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373909
(CHEMBL272466)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1cccc(C)c1 |wU:10.10,13.18,wD:13.14,(20.47,-18.05,;19.22,-18.96,;17.76,-18.48,;16.85,-19.72,;17.75,-20.97,;19.22,-20.5,;20.46,-21.4,;21.87,-20.78,;23.11,-21.69,;24.52,-21.06,;25.77,-21.97,;27.17,-21.34,;28.41,-22.26,;28.24,-23.79,;28.63,-25.27,;26.83,-24.4,;25.59,-23.5,;29.72,-23.38,;30.81,-24.45,;30.11,-21.89,;15.31,-19.73,;14.54,-18.4,;13.01,-18.4,;12.24,-19.72,;13,-21.06,;12.22,-22.39,;14.53,-21.07,)| Show InChI InChI=1S/C21H27NO5/c1-14-7-6-9-17(11-14)19-22-18(15(2)27-19)10-5-4-8-16-12-25-21(3,20(23)24)26-13-16/h6-7,9,11,16H,4-5,8,10,12-13H2,1-3H3,(H,23,24)/t16-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373910
(CHEMBL410704)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)c(F)c1 |wU:10.10,13.18,wD:13.14,(-1.93,-16.07,;-3.17,-16.97,;-4.64,-16.49,;-5.54,-17.74,;-4.64,-18.99,;-3.18,-18.51,;-1.93,-19.42,;-.52,-18.8,;.72,-19.7,;2.13,-19.08,;3.37,-19.99,;4.77,-19.35,;6.02,-20.27,;5.85,-21.8,;6.24,-23.29,;4.44,-22.42,;3.2,-21.51,;7.33,-21.4,;8.42,-22.47,;7.72,-19.91,;-7.09,-17.75,;-7.85,-16.42,;-9.38,-16.41,;-10.16,-17.74,;-11.7,-17.73,;-9.4,-19.07,;-10.18,-20.4,;-7.86,-19.08,)| Show InChI InChI=1S/C21H26FNO5/c1-13-8-9-16(10-17(13)22)19-23-18(14(2)28-19)7-5-4-6-15-11-26-21(3,20(24)25)27-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,24,25)/t15-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373911
(CHEMBL410705)Show SMILES CCc1ccc(cc1)-c1nc(CCCC[C@H]2CO[C@](C)(OC2)C(O)=O)c(C)o1 |wU:15.15,18.23,wD:18.19,(8.46,-12.81,;9.24,-11.48,;10.78,-11.49,;11.56,-10.17,;13.09,-10.17,;13.85,-11.5,;13.08,-12.83,;11.54,-12.83,;15.39,-11.49,;16.3,-12.74,;17.76,-12.27,;19.01,-13.17,;20.41,-12.55,;21.66,-13.46,;23.07,-12.83,;24.31,-13.74,;25.71,-13.11,;26.95,-14.02,;26.79,-15.56,;27.18,-17.04,;25.37,-16.17,;24.14,-15.27,;28.26,-15.15,;29.36,-16.22,;28.65,-13.66,;17.76,-10.73,;19.01,-9.82,;16.3,-10.25,)| Show InChI InChI=1S/C22H29NO5/c1-4-16-9-11-18(12-10-16)20-23-19(15(2)28-20)8-6-5-7-17-13-26-22(3,21(24)25)27-14-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,24,25)/t17-,22+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50225835
((2s,5s)-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-...)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |r,wU:10.10,13.18,wD:13.14,(.84,-5.21,;-.3,-6.25,;-1.81,-5.93,;-2.58,-7.27,;-1.54,-8.41,;-.13,-7.78,;1.21,-8.54,;2.54,-7.78,;3.88,-8.54,;5.21,-7.77,;6.55,-8.54,;7.87,-7.77,;9.2,-8.55,;9.2,-10.09,;10.74,-10.08,;7.87,-10.85,;6.54,-10.08,;9.19,-11.62,;10.52,-12.4,;7.86,-12.38,;-4.11,-7.44,;-5.01,-6.19,;-6.54,-6.36,;-7.17,-7.77,;-8.7,-7.93,;-6.25,-9.01,;-4.72,-8.84,)| Show InChI InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Nippon Shinyaku Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)) | 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 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
UniProtKB/SwissProt
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 | 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
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 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 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
(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)) | 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 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 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 alpha
(Homo sapiens (Human)) | BDBM50373912
(CHEMBL270961)Show SMILES COc1ccc(cc1)-c1nc(CCCC[C@H]2CO[C@](C)(OC2)C(O)=O)c(C)o1 |wU:15.15,18.23,wD:18.19,(10.26,-3.44,;11.02,-4.78,;12.56,-4.79,;13.33,-3.46,;14.86,-3.47,;15.63,-4.8,;14.85,-6.13,;13.32,-6.12,;17.17,-4.79,;18.07,-6.04,;19.54,-5.56,;20.78,-6.47,;22.19,-5.85,;23.44,-6.75,;24.85,-6.13,;26.09,-7.04,;27.49,-6.41,;28.73,-7.32,;28.57,-8.85,;28.96,-10.34,;27.16,-9.47,;25.92,-8.57,;30.05,-8.45,;31.14,-9.52,;30.43,-6.96,;19.54,-4.02,;20.79,-3.12,;18.08,-3.54,)| Show InChI InChI=1S/C21H27NO6/c1-14-18(22-19(28-14)16-8-10-17(25-3)11-9-16)7-5-4-6-15-12-26-21(2,20(23)24)27-13-15/h8-11,15H,4-7,12-13H2,1-3H3,(H,23,24)/t15-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373913
(CHEMBL271776)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(cc1)C(F)(F)F |wU:10.10,13.18,wD:13.14,(-.14,-2.18,;-1.38,-3.08,;-2.85,-2.6,;-3.76,-3.85,;-2.85,-5.09,;-1.39,-4.62,;-.14,-5.53,;1.27,-4.9,;2.51,-5.81,;3.92,-5.19,;5.16,-6.1,;6.56,-5.46,;7.81,-6.38,;7.64,-7.91,;8.03,-9.4,;6.23,-8.53,;4.99,-7.62,;9.12,-7.51,;10.21,-8.58,;9.51,-6.02,;-5.3,-3.85,;-6.07,-5.19,;-7.61,-5.18,;-8.37,-3.85,;-7.59,-2.52,;-6.06,-2.53,;-9.91,-3.84,;-11.45,-3.83,;-9.92,-5.38,;-9.9,-2.3,)| Show InChI InChI=1S/C21H24F3NO5/c1-13-17(6-4-3-5-14-11-28-20(2,19(26)27)29-12-14)25-18(30-13)15-7-9-16(10-8-15)21(22,23)24/h7-10,14H,3-6,11-12H2,1-2H3,(H,26,27)/t14-,20+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373914
(CHEMBL271775)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(Cl)cc1 |wU:10.10,13.18,wD:13.14,(16.13,5.86,;14.89,4.96,;13.42,5.44,;12.52,4.2,;13.42,2.95,;14.88,3.42,;16.13,2.51,;17.54,3.14,;18.78,2.23,;20.19,2.85,;21.43,1.95,;22.83,2.58,;24.08,1.66,;23.91,.13,;24.3,-1.35,;22.5,-.49,;21.26,.42,;25.39,.54,;26.48,-.54,;25.78,2.02,;10.97,4.19,;10.21,5.52,;8.68,5.52,;7.9,4.19,;6.36,4.2,;8.66,2.86,;10.2,2.85,)| Show InChI InChI=1S/C20H24ClNO5/c1-13-17(22-18(27-13)15-7-9-16(21)10-8-15)6-4-3-5-14-11-25-20(2,19(23)24)26-12-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,23,24)/t14-,20+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
Similars
| 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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50373911
(CHEMBL410705)Show SMILES CCc1ccc(cc1)-c1nc(CCCC[C@H]2CO[C@](C)(OC2)C(O)=O)c(C)o1 |wU:15.15,18.23,wD:18.19,(8.46,-12.81,;9.24,-11.48,;10.78,-11.49,;11.56,-10.17,;13.09,-10.17,;13.85,-11.5,;13.08,-12.83,;11.54,-12.83,;15.39,-11.49,;16.3,-12.74,;17.76,-12.27,;19.01,-13.17,;20.41,-12.55,;21.66,-13.46,;23.07,-12.83,;24.31,-13.74,;25.71,-13.11,;26.95,-14.02,;26.79,-15.56,;27.18,-17.04,;25.37,-16.17,;24.14,-15.27,;28.26,-15.15,;29.36,-16.22,;28.65,-13.66,;17.76,-10.73,;19.01,-9.82,;16.3,-10.25,)| Show InChI InChI=1S/C22H29NO5/c1-4-16-9-11-18(12-10-16)20-23-19(15(2)28-20)8-6-5-7-17-13-26-22(3,21(24)25)27-14-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,24,25)/t17-,22+ | 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+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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
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 | 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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50225835
((2s,5s)-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-...)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |r,wU:10.10,13.18,wD:13.14,(.84,-5.21,;-.3,-6.25,;-1.81,-5.93,;-2.58,-7.27,;-1.54,-8.41,;-.13,-7.78,;1.21,-8.54,;2.54,-7.78,;3.88,-8.54,;5.21,-7.77,;6.55,-8.54,;7.87,-7.77,;9.2,-8.55,;9.2,-10.09,;10.74,-10.08,;7.87,-10.85,;6.54,-10.08,;9.19,-11.62,;10.52,-12.4,;7.86,-12.38,;-4.11,-7.44,;-5.01,-6.19,;-6.54,-6.36,;-7.17,-7.77,;-8.7,-7.93,;-6.25,-9.01,;-4.72,-8.84,)| Show InChI InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(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
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.60E+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 CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50225835
((2s,5s)-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-...)Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |r,wU:10.10,13.18,wD:13.14,(.84,-5.21,;-.3,-6.25,;-1.81,-5.93,;-2.58,-7.27,;-1.54,-8.41,;-.13,-7.78,;1.21,-8.54,;2.54,-7.78,;3.88,-8.54,;5.21,-7.77,;6.55,-8.54,;7.87,-7.77,;9.2,-8.55,;9.2,-10.09,;10.74,-10.08,;7.87,-10.85,;6.54,-10.08,;9.19,-11.62,;10.52,-12.4,;7.86,-12.38,;-4.11,-7.44,;-5.01,-6.19,;-6.54,-6.36,;-7.17,-7.77,;-8.7,-7.93,;-6.25,-9.01,;-4.72,-8.84,)| Show InChI InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 PPARdelta expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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 PPARdelta expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
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
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 PPARdelta expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50373915
(CHEMBL272017)Show SMILES Cc1sc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |wU:10.10,13.18,wD:13.14,(17.5,-39.91,;16.25,-40.81,;14.79,-40.34,;13.88,-41.58,;14.78,-42.83,;16.25,-42.35,;17.5,-43.26,;18.9,-42.64,;20.15,-43.54,;21.56,-42.92,;22.8,-43.83,;24.2,-43.2,;25.44,-44.11,;25.28,-45.65,;25.26,-47.19,;23.87,-46.26,;22.63,-45.36,;26.81,-45.65,;27.58,-46.97,;27.58,-44.31,;12.34,-41.58,;11.57,-42.9,;10.04,-42.89,;9.28,-41.57,;7.74,-41.56,;10.04,-40.25,;11.57,-40.25,)| Show InChI InChI=1S/C21H27NO4S/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 PPARalpha expressed in CV1 cells by transactivation assay |
Bioorg Med Chem 16: 981-94 (2008)
Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95 |
More data for this
Ligand-Target Pair | |
Search and Browse
