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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50179821'   
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))
BDBM50179821
PNG
((S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-met...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 851n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50179821
PNG
((S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-met...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/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/an/a 851n/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