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BDBM50293844 1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy}-1-cyclobutanecarboxylic Acid::CHEMBL560830

SMILES: Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1

InChI Key: InChIKey=NEIOEHYODVHBBU-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 = 50293844   
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))
BDBM50293844
PNG
(1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-17-25(26(35)19-6-8-20(30)9-7-19)23-11-10-22(39-29(31,32)33)15-24(23)34(17)16-18-4-2-5-21(14-18)38-28(27(36)37)12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,36,37)
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/an/an/a 185n/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


(Homo sapiens (Human))
BDBM50293844
PNG
(1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-17-25(26(35)19-6-8-20(30)9-7-19)23-11-10-22(39-29(31,32)33)15-24(23)34(17)16-18-4-2-5-21(14-18)38-28(27(36)37)12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,36,37)
PDB
MMDB

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KEGG

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PC sid
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Article
PubMed
n/an/a 16n/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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50293844
PNG
(1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-17-25(26(35)19-6-8-20(30)9-7-19)23-11-10-22(39-29(31,32)33)15-24(23)34(17)16-18-4-2-5-21(14-18)38-28(27(36)37)12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,36,37)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 12n/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
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293844
PNG
(1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-17-25(26(35)19-6-8-20(30)9-7-19)23-11-10-22(39-29(31,32)33)15-24(23)34(17)16-18-4-2-5-21(14-18)38-28(27(36)37)12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 150n/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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50293844
PNG
(1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-17-25(26(35)19-6-8-20(30)9-7-19)23-11-10-22(39-29(31,32)33)15-24(23)34(17)16-18-4-2-5-21(14-18)38-28(27(36)37)12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,36,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.08E+3n/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