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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'irwin' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50403019
PNG
(CHEMBL2208193)
Show SMILES COc1ccc(\C=C\C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1
Show InChI InChI=1S/C19H20O6/c1-22-13-8-5-12(6-9-13)7-10-14(20)17-15(21)11-16(23-2)18(24-3)19(17)25-4/h5-11,21H,1-4H3/b10-7+
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MMDB

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Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma-LBD expressed in human L02 cells co-expressing pGL3-SV40-GAL4 after 24 hrs by luciferase reporter gene based transactiv...


J Nat Prod 75: 2076-81 (2012)


Article DOI: 10.1021/np300386d
BindingDB Entry DOI: 10.7270/Q2PV6MJB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Hebei Medical University

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma-LBD expressed in human L02 cells co-expressing pGL3-SV40-GAL4 after 24 hrs by luciferase reporter gene based transactiv...


J Nat Prod 75: 2076-81 (2012)


Article DOI: 10.1021/np300386d
BindingDB Entry DOI: 10.7270/Q2PV6MJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)