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BDBM50173367 1-(4-tert-Butyl-phenyl)-5-hydroxy-3-(3-trifluoromethyl-phenoxy)-1H-indole-2-carboxylic acid::CHEMBL373048

SMILES: CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(O)ccc12

InChI Key: InChIKey=SXZMFGXNDCTAOG-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50173367   
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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50173367
PNG
(1-(4-tert-Butyl-phenyl)-5-hydroxy-3-(3-trifluorome...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(O)ccc12
Show InChI InChI=1S/C26H22F3NO4/c1-25(2,3)15-7-9-17(10-8-15)30-21-12-11-18(31)14-20(21)23(22(30)24(32)33)34-19-6-4-5-16(13-19)26(27,28)29/h4-14,31H,1-3H3,(H,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50173367
PNG
(1-(4-tert-Butyl-phenyl)-5-hydroxy-3-(3-trifluorome...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(O)ccc12
Show InChI InChI=1S/C26H22F3NO4/c1-25(2,3)15-7-9-17(10-8-15)30-21-12-11-18(31)14-20(21)23(22(30)24(32)33)34-19-6-4-5-16(13-19)26(27,28)29/h4-14,31H,1-3H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 318n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay


Bioorg Med Chem Lett 15: 5035-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.002
BindingDB Entry DOI: 10.7270/Q27H1J56
More data for this
Ligand-Target Pair