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SMILES: C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O

InChI Key: InChIKey=HMPJUJWJRZHLGY-GOSISDBHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50235986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50235986
PNG
(CHEMBL4073499)
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-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 42n/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))
BDBM50235986
PNG
(CHEMBL4073499)
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-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0250n/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 gamma


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
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-/m1/s1
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PC sid
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n/an/an/a 3.70n/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 gamma


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
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-/m1/s1
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PC cid
PC sid
UniChem
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PubMed
n/an/an/an/a 280n/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))
BDBM50235986
PNG
(CHEMBL4073499)
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-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.860n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of [3H]- FPP incorporation into recombinant Ha-Ras by farnesyl transferase at 10 pM


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 gamma


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
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-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.0950n/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