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PDB code 2Q8S

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (271/271 = 100%)
(Homo sapiens (human))
BDBM33284
PNG
(BMC164883 Compound 53 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
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AffyNet 
PDB
Article
PubMed
n/an/a 185n/a 140n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor

  (271/271 = 100%)
(Homo sapiens (human))
BDBM33284
PNG
(BMC164883 Compound 53 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
Show InChI InChI=1/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 185n/a 140n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output