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BDBM50234377 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl)ethoxy)phenyl)propanoic acid::CHEMBL398677

SMILES: CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O

InChI Key: InChIKey=XPMZAYBVAONKQR-MEIHLTSWNA-N

Data: 1 KI  2 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 3 hits for monomerid = 50234377   
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


(Homo sapiens (Human))
BDBM50234377
PNG
(2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



SPOT-EA3857

Curated by ChEMBL


Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma


Bioorg Med Chem Lett 18: 1617-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50234377
PNG
(2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



SPOT-EA3857

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643


Bioorg Med Chem Lett 18: 1617-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50234377
PNG
(2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



SPOT-EA3857

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 18: 1617-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW
More data for this
Ligand-Target Pair