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BDBM50293853 2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1Hindol-1-yl]methyl]phenoxy]acetic Acid::CHEMBL559567

SMILES: Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1

InChI Key: InChIKey=XLJAGICJAKVSJO-UHFFFAOYSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 50293853   
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))
BDBM50293853
PNG
(2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H19ClF3NO5/c1-15-24(25(34)17-5-7-18(27)8-6-17)21-10-9-20(36-26(28,29)30)12-22(21)31(15)13-16-3-2-4-19(11-16)35-14-23(32)33/h2-12H,13-14H2,1H3,(H,32,33)
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PubMed
n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50293853
PNG
(2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H19ClF3NO5/c1-15-24(25(34)17-5-7-18(27)8-6-17)21-10-9-20(36-26(28,29)30)12-22(21)31(15)13-16-3-2-4-19(11-16)35-14-23(32)33/h2-12H,13-14H2,1H3,(H,32,33)
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a>15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PPARalpha receptor by scintillation proximity assay


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50293853
PNG
(2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H19ClF3NO5/c1-15-24(25(34)17-5-7-18(27)8-6-17)21-10-9-20(36-26(28,29)30)12-22(21)31(15)13-16-3-2-4-19(11-16)35-14-23(32)33/h2-12H,13-14H2,1H3,(H,32,33)
PDB

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PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha receptor expressed in african green monkey COS1 cells cotransfected with fused yeast Gal4-DBD by transactivation ...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293853
PNG
(2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H19ClF3NO5/c1-15-24(25(34)17-5-7-18(27)8-6-17)21-10-9-20(36-26(28,29)30)12-22(21)31(15)13-16-3-2-4-19(11-16)35-14-23(32)33/h2-12H,13-14H2,1H3,(H,32,33)
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Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50293853
PNG
(2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C26H19ClF3NO5/c1-15-24(25(34)17-5-7-18(27)8-6-17)21-10-9-20(36-26(28,29)30)12-22(21)31(15)13-16-3-2-4-19(11-16)35-14-23(32)33/h2-12H,13-14H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by scintillation proximity assay


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair