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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50235985'   
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 alpha


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 46n/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.75n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/a 0.0160n/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair