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BDBM50196250 2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propyl)-1H-indol-4-yloxy)-2-methylpropanoic acid::2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID::CHEMBL216395

SMILES: CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1

InChI Key: InChIKey=PTLLEIWUBIYUFA-UHFFFAOYSA-N

Data: 3 EC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50196250   
Target
(Institution)
LigandTarget
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 (PPAR delta)


(Homo sapiens (Human))
BDBM50196250
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
PDB
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AffyNet 
Article
PubMed
n/an/an/an/a 4.30E+3n/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)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50196250
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 282n/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)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50196250
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 210n/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)

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