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BDBM50169250 (4-Isopropyl-phenyl)-(2-methyl-4-propionyl-6-propyl-phenoxy)-acetic acid::CHEMBL189066

SMILES: CCCc1cc(cc(C)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(=O)CC

InChI Key: InChIKey=LECHOJTZZUVZTE-UHFFFAOYSA-N

Data: 2 IC50  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 4 hits for monomerid = 50169250   
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))
BDBM50169250
PNG
((4-Isopropyl-phenyl)-(2-methyl-4-propionyl-6-propy...)
Show SMILES CCCc1cc(cc(C)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(=O)CC
Show InChI InChI=1S/C24H30O4/c1-6-8-19-14-20(21(25)7-2)13-16(5)22(19)28-23(24(26)27)18-11-9-17(10-12-18)15(3)4/h9-15,23H,6-8H2,1-5H3,(H,26,27)
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/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma


J Med Chem 48: 4457-68 (2005)


Article DOI: 10.1021/jm0502135
BindingDB Entry DOI: 10.7270/Q2MG7P1D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50169250
PNG
((4-Isopropyl-phenyl)-(2-methyl-4-propionyl-6-propy...)
Show SMILES CCCc1cc(cc(C)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(=O)CC
Show InChI InChI=1S/C24H30O4/c1-6-8-19-14-20(21(25)7-2)13-16(5)22(19)28-23(24(26)27)18-11-9-17(10-12-18)15(3)4/h9-15,23H,6-8H2,1-5H3,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist response against human PPAR alpha in transactivation assay


J Med Chem 48: 4457-68 (2005)


Article DOI: 10.1021/jm0502135
BindingDB Entry DOI: 10.7270/Q2MG7P1D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50169250
PNG
((4-Isopropyl-phenyl)-(2-methyl-4-propionyl-6-propy...)
Show SMILES CCCc1cc(cc(C)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(=O)CC
Show InChI InChI=1S/C24H30O4/c1-6-8-19-14-20(21(25)7-2)13-16(5)22(19)28-23(24(26)27)18-11-9-17(10-12-18)15(3)4/h9-15,23H,6-8H2,1-5H3,(H,26,27)
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 197n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist response against human PPAR gamma in transactivation assay


J Med Chem 48: 4457-68 (2005)


Article DOI: 10.1021/jm0502135
BindingDB Entry DOI: 10.7270/Q2MG7P1D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50169250
PNG
((4-Isopropyl-phenyl)-(2-methyl-4-propionyl-6-propy...)
Show SMILES CCCc1cc(cc(C)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(=O)CC
Show InChI InChI=1S/C24H30O4/c1-6-8-19-14-20(21(25)7-2)13-16(5)22(19)28-23(24(26)27)18-11-9-17(10-12-18)15(3)4/h9-15,23H,6-8H2,1-5H3,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR alpha


J Med Chem 48: 4457-68 (2005)


Article DOI: 10.1021/jm0502135
BindingDB Entry DOI: 10.7270/Q2MG7P1D
More data for this
Ligand-Target Pair