Found 29 hits with Last Name = 'shim' and Initial = 'sh' 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 delta
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085048
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50099491
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103521
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50607786
(CHEMBL5220260) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497670
(CHEMBL3353020)Show SMILES [H][C@@]12O[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)\C=C\[C@H](C)C(C)C)=C1[C@@H]2OC(=O)CCCCCCC\C=C/CCCCCCCC |r,c:33| Show InChI InChI=1S/C46H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-42-41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(45)43(42)50-46/h15-16,24-25,33-37,39,42-43,47H,8-14,17-23,26-32H2,1-7H3/b16-15-,25-24+/t34-,35+,36-,37+,39-,42-,43-,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497671
(CHEBI:64976 | CHEMBL3353029)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h22-25,33-35,37,39-41H,8-21,26-32H2,1-7H3/b23-22+/t34-,35+,37-,39+,40-,41-,43-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497672
(CHEMBL3353025)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@]3(O)CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C46H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)51-37-28-29-44(7)45(49)31-30-43(6)38(36(5)25-24-35(4)34(2)3)26-27-39(43)40(45)32-41(47)46(44,50)33-37/h12-13,15-16,24-25,32,34-39,41,47,49-50H,8-11,14,17-23,26-31,33H2,1-7H3/b13-12-,16-15-,25-24+/t35-,36+,37-,38+,39-,41-,43+,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497673
(CHEMBL3353028)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C46H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-42-32-38-40-27-26-39(36(5)25-24-35(4)34(2)3)44(40,6)30-29-41(38)45(7)31-28-37(47)33-46(42,45)49/h12-13,15-16,24-25,32,34-37,39-42,47,49H,8-11,14,17-23,26-31,33H2,1-7H3/b13-12-,16-15-,25-24+/t35-,36+,37-,39+,40-,41-,42-,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.82E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50099491
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.08E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085048
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50103521
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.39E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497669
(CHEMBL3353021)Show SMILES [H][C@@]12O[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)\C=C\[C@H](C)C(C)C)=C1[C@@H]2OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r,c:33| Show InChI InChI=1S/C46H74O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-42-41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(45)43(42)50-46/h12-13,15-16,24-25,33-37,39,42-43,47H,8-11,14,17-23,26-32H2,1-7H3/b13-12-,16-15-,25-24+/t34-,35+,36-,37+,39-,42-,43-,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497668
(CHEMBL3353022)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@@H](OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C46H74O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-42-32-38-40-27-26-39(36(5)25-24-35(4)34(2)3)44(40,6)30-29-41(38)45(7)31-28-37(47)33-46(42,45)49/h9-10,12-13,15-16,24-25,32,34-37,39-42,47,49H,8,11,14,17-23,26-31,33H2,1-7H3/b10-9-,13-12-,16-15-,25-24+/t35-,36+,37-,39+,40-,41-,42+,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497667
(CHEMBL3353026)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C44H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-41(46)48-40-30-36-38-25-24-37(34(5)23-22-33(4)32(2)3)42(38,6)28-27-39(36)43(7)29-26-35(45)31-44(40,43)47/h22-23,30,32-35,37-40,45,47H,8-21,24-29,31H2,1-7H3/b23-22+/t33-,34+,35-,37+,38-,39-,40-,42+,43+,44-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497666
(CHEMBL3353027)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C46H78O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-42-32-38-40-27-26-39(36(5)25-24-35(4)34(2)3)44(40,6)30-29-41(38)45(7)31-28-37(47)33-46(42,45)49/h15-16,24-25,32,34-37,39-42,47,49H,8-14,17-23,26-31,33H2,1-7H3/b16-15-,25-24+/t35-,36+,37-,39+,40-,41-,42-,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497665
(CHEMBL3353030)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCC)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h24-27,35-37,39,41-43H,8-23,28-34H2,1-7H3/b25-24+/t36-,37+,39-,41+,42-,43-,45-,46+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)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/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50607785
(CHEMBL5219536)Show SMILES COc1cccc2ccc(c(O)c12)-c1cc(-c2ccc3cccc(OC)c3c2O)c2cccc(OC)c2c1O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.29E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00791
BindingDB Entry DOI: 10.7270/Q2G44VDK |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497663
(CHEMBL3353023)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C46H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-37-28-31-45(7)41-29-30-44(6)39(36(5)25-24-35(4)34(2)3)26-27-40(44)38(41)32-42(47)46(45,49)33-37/h12-13,15-16,24-25,32,34-37,39-42,47,49H,8-11,14,17-23,26-31,33H2,1-7H3/b13-12-,16-15-,25-24+/t35-,36+,37-,39+,40-,41-,42-,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.87E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha/delta/gamma
(Homo sapiens (Human)) | BDBM50497664
(CHEMBL3353024)Show SMILES [H][C@@]1(CC[C@@]2([H])C3=C[C@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCC)[C@H](C)\C=C\[C@H](C)C(C)C |r,t:6| Show InChI InChI=1S/C46H80O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-37-28-31-45(7)41-29-30-44(6)39(36(5)25-24-35(4)34(2)3)26-27-40(44)38(41)32-42(47)46(45,49)33-37/h24-25,32,34-37,39-42,47,49H,8-23,26-31,33H2,1-7H3/b25-24+/t35-,36+,37-,39+,40-,41-,42-,44+,45+,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.06E+4 | n/a | n/a | n/a | n/a |
Yeungnam University
Curated by ChEMBL
| Assay Description
Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay |
J Nat Prod 77: 2611-8 (2014)
Article DOI: 10.1021/np500234f
BindingDB Entry DOI: 10.7270/Q25Q503N |
More data for this
Ligand-Target Pair | |
Search and Browse
