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BDBM50196246 2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propyl)-1H-indol-5-yloxy)-2-methylpropanoic acid::CHEMBL437479

SMILES: CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1

InChI Key: InChIKey=ULGQLBCXKKYQAT-UHFFFAOYSA-N

Data: 6 EC50

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 6 hits for monomerid = 50196246   
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 delta


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
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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
Activity at human PPAR delta in Huh7 cells by transactivation assay


J Med Chem 49: 6421-4 (2006)


Article DOI: 10.1021/jm060663c
BindingDB Entry DOI: 10.7270/Q2C53KG6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 650n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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


J Med Chem 49: 6421-4 (2006)


Article DOI: 10.1021/jm060663c
BindingDB Entry DOI: 10.7270/Q2C53KG6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
PDB

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UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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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
Agonist activity at human PPARdelta receptor by cell based transactivation assay


J Med Chem 52: 2618-22 (2009)


Article DOI: 10.1021/jm801594x
BindingDB Entry DOI: 10.7270/Q2SJ1KGZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha receptor by cell based transactivation assay


J Med Chem 52: 2618-22 (2009)


Article DOI: 10.1021/jm801594x
BindingDB Entry DOI: 10.7270/Q2SJ1KGZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 650n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma receptor by cell based transactivation assay


J Med Chem 52: 2618-22 (2009)


Article DOI: 10.1021/jm801594x
BindingDB Entry DOI: 10.7270/Q2SJ1KGZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 123n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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


J Med Chem 49: 6421-4 (2006)


Article DOI: 10.1021/jm060663c
BindingDB Entry DOI: 10.7270/Q2C53KG6
More data for this
Ligand-Target Pair