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BDBM50179243 2-{5-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)pentyloxy]-1H-indol-1-yl}ethanoic acid::CHEMBL425921

SMILES: CCCc1c(OCCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F

InChI Key: InChIKey=PRKMZIWSBKQAHS-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179243   
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))
BDBM50179243
PNG
(2-{5-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-2-6-19-22(10-8-20-24(19)36-30-25(20)26(27,28)29)35-14-5-3-4-13-34-18-7-9-21-17(15-18)11-12-31(21)16-23(32)33/h7-12,15H,2-6,13-14,16H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179243
PNG
(2-{5-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-2-6-19-22(10-8-20-24(19)36-30-25(20)26(27,28)29)35-14-5-3-4-13-34-18-7-9-21-17(15-18)11-12-31(21)16-23(32)33/h7-12,15H,2-6,13-14,16H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 1.49E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Functional activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair