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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50415442   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARgamma receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
PDB

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antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50415442
PNG
(CHEMBL598609)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17F3N2O3S/c22-21(23,24)18-10-11-19(26-14-18)30(28,29)13-12-25-20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair