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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50132575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50132575
PNG
(4-(Carboxy-phenyl-methoxy)-3-chloro-5-propyl-benzo...)
Show SMILES CCCc1cc(cc(Cl)c1OC(C(O)=O)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C19H19ClO5/c1-3-7-13-10-14(19(23)24-2)11-15(20)16(13)25-17(18(21)22)12-8-5-4-6-9-12/h4-6,8-11,17H,3,7H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
57n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 3185-90 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50132575
PNG
(4-(Carboxy-phenyl-methoxy)-3-chloro-5-propyl-benzo...)
Show SMILES CCCc1cc(cc(Cl)c1OC(C(O)=O)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C19H19ClO5/c1-3-7-13-10-14(19(23)24-2)11-15(20)16(13)25-17(18(21)22)12-8-5-4-6-9-12/h4-6,8-11,17H,3,7H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
8.53E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 3185-90 (2003)


BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair