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BDBM50179248 3-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]-1H-indol-1-yl}propanoic acid::CHEMBL381876

SMILES: CCCc1c(OCCCOc2cccc3n(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F

InChI Key: InChIKey=IHORVCQOZNLXQR-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 = 50179248   
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))
BDBM50179248
PNG
(3-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-15-4-14-33-20-7-3-6-19-16(20)10-12-30(19)13-11-22(31)32/h3,6-10,12H,2,4-5,11,13-15H2,1H3,(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 2.19E+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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50179248
PNG
(3-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazo...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CCC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5/c1-2-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-15-4-14-33-20-7-3-6-19-16(20)10-12-30(19)13-11-22(31)32/h3,6-10,12H,2,4-5,11,13-15H2,1H3,(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 1.10E+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