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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50385189'   
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))
BDBM50385189
PNG
(CHEMBL2037007)
Show SMILES CC[C@@](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)/t29-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair