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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 = 'BDBM50195077'   
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))
BDBM50195077
PNG
(2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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MMDB

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Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195077
PNG
(2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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/an/an/an/a 335n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair