Found 6 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)) | BDBM50031334
(CHEMBL3358035)Show SMILES [H][C@@]12[C@H](O)[C@@H](CC[C@@]1(C)[C@H](O)CC[C@@]2(C)O[C@H](C=C)C#CC#C[C@@H](O)\C=C/CCCCCCC)C(C)C |r| Show InChI InChI=1S/C32H50O4/c1-7-9-10-11-12-13-14-17-25(33)18-15-16-19-26(8-2)36-32(6)23-21-28(34)31(5)22-20-27(24(3)4)29(35)30(31)32/h8,14,17,24-30,33-35H,2,7,9-13,20-23H2,1,3-6H3/b17-14-/t25-,26+,27-,28+,29+,30+,31-,32+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Karl-Franzens-University Graz
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay |
J Nat Prod 77: 2513-21 (2014)
Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50031332
(CHEMBL3358033)Show SMILES [H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@@]2(C)O[C@H](C=C)C#CC#C[C@@H](O)\C=C/CCCCCCC)C(C)(C)O |r| Show InChI InChI=1S/C32H50O3/c1-7-9-10-11-12-13-14-18-27(33)19-15-16-20-28(8-2)35-32(6)23-17-22-31(5)24-21-26(25-29(31)32)30(3,4)34/h8,14,18,26-29,33-34H,2,7,9-13,17,21-25H2,1,3-6H3/b18-14-/t26-,27+,28-,29-,31-,32-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
Karl-Franzens-University Graz
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay |
J Nat Prod 77: 2513-21 (2014)
Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50049240
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)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/h3-8,12,22H,2,9-11H2,1H3,(H,21,23) | 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 | 210 | n/a | n/a | n/a | n/a |
Karl-Franzens-University Graz
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay |
J Nat Prod 77: 2513-21 (2014)
Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50031336
(CHEMBL3358037)Show SMILES CCCCCCC\C=C/[C@H](O)C#Cc1c2[C@H](OCc2cc2cc(OC)c(O)cc12)C=C |r| Show InChI InChI=1S/C27H32O4/c1-4-6-7-8-9-10-11-12-21(28)13-14-22-23-17-24(29)26(30-3)16-19(23)15-20-18-31-25(5-2)27(20)22/h5,11-12,15-17,21,25,28-29H,2,4,6-10,18H2,1,3H3/b12-11-/t21-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Karl-Franzens-University Graz
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay |
J Nat Prod 77: 2513-21 (2014)
Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50031333
(CHEMBL3358034)Show SMILES [H][C@@]12C[C@@H](CC[C@@]1(C)CCC[C@@]2(C)O[C@@H](\C=C/CCCCCCC)C#CC#C[C@H](O)C=C)C(C)(C)O |r| Show InChI InChI=1S/C32H50O3/c1-7-9-10-11-12-13-14-19-28(20-16-15-18-27(33)8-2)35-32(6)23-17-22-31(5)24-21-26(25-29(31)32)30(3,4)34/h8,14,19,26-29,33-34H,2,7,9-13,17,21-25H2,1,3-6H3/b19-14-/t26-,27-,28+,29-,31-,32-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Karl-Franzens-University Graz
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay |
J Nat Prod 77: 2513-21 (2014)
Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50031335
(CHEMBL3358036)Show SMILES CCCCCCC\C=C/[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C#CC#C[C@H](O)C=C |r| Show InChI InChI=1S/C27H32O5/c1-4-6-7-8-9-10-11-15-24(16-13-12-14-23(28)5-2)32-27(30)20-18-22-17-19-25(29)26(21-22)31-3/h5,11,15,17-21,23-24,28-29H,2,4,6-10H2,1,3H3/b15-11-,20-18+/t23-,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
Karl-Franzens-University Graz
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay |
J Nat Prod 77: 2513-21 (2014)
Article DOI: 10.1021/np500605v
BindingDB Entry DOI: 10.7270/Q2DR2X36 |
More data for this
Ligand-Target Pair | |
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