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BDBM50171903 (S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid::CHEMBL426632

SMILES: OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1

InChI Key: InChIKey=GVMPFDAQXKKAHY-SFHVURJKSA-N

Data: 4 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 4 hits for monomerid = 50171903   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50171903
PNG
((S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50171903
PNG
((S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.41E+3n/an/an/an/a



Universit£ degli studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay


Eur J Med Chem 63: 321-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.015
BindingDB Entry DOI: 10.7270/Q29G5QRP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50171903
PNG
((S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



Universit£ degli studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human HepG2 cells by transactivation assay


Eur J Med Chem 63: 321-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.015
BindingDB Entry DOI: 10.7270/Q29G5QRP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50171903
PNG
((S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair