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BDBM50179240 3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]-1H-indol-1-yl}propanoic acid::CHEMBL371098

SMILES: CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F

InChI Key: InChIKey=ZGOFUEGMFXFQKE-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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

Found 2 hits for monomerid = 50179240   
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))
BDBM50179240
PNG
(3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-14-3-13-33-17-5-7-20-16(15-17)9-11-30(20)12-10-22(31)32/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,31,32)
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/a 584n/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))
BDBM50179240
PNG
(3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-14-3-13-33-17-5-7-20-16(15-17)9-11-30(20)12-10-22(31)32/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,31,32)
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 1.20E+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