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SMILES: CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(oc12)-c1ccccc1

InChI Key: InChIKey=VOVWQZRQUGCZRR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50179232   
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))
BDBM50179232
PNG
(2-{4-[3-(2-phenyl-7-propylbenzo[b]furan-6-yloxy)pr...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C30H29NO5/c1-2-8-24-27(14-13-22-19-28(36-30(22)24)21-9-4-3-5-10-21)35-18-7-17-34-26-12-6-11-25-23(26)15-16-31(25)20-29(32)33/h3-6,9-16,19H,2,7-8,17-18,20H2,1H3,(H,32,33)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR alpha in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50179232
PNG
(2-{4-[3-(2-phenyl-7-propylbenzo[b]furan-6-yloxy)pr...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C30H29NO5/c1-2-8-24-27(14-13-22-19-28(36-30(22)24)21-9-4-3-5-10-21)35-18-7-17-34-26-12-6-11-25-23(26)15-16-31(25)20-29(32)33/h3-6,9-16,19H,2,7-8,17-18,20H2,1H3,(H,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50179232
PNG
(2-{4-[3-(2-phenyl-7-propylbenzo[b]furan-6-yloxy)pr...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C30H29NO5/c1-2-8-24-27(14-13-22-19-28(36-30(22)24)21-9-4-3-5-10-21)35-18-7-17-34-26-12-6-11-25-23(26)15-16-31(25)20-29(32)33/h3-6,9-16,19H,2,7-8,17-18,20H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50179232
PNG
(2-{4-[3-(2-phenyl-7-propylbenzo[b]furan-6-yloxy)pr...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C30H29NO5/c1-2-8-24-27(14-13-22-19-28(36-30(22)24)21-9-4-3-5-10-21)35-18-7-17-34-26-12-6-11-25-23(26)15-16-31(25)20-29(32)33/h3-6,9-16,19H,2,7-8,17-18,20H2,1H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 7.74E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair