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BDBM28753 2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-yl]methyl}sulfanyl)-2-methylphenoxy]-2-methylpropanoic acid::[1,2,4]thiadiazole derivative, 36

SMILES: Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O

InChI Key: InChIKey=RZGXJNCOBNXAPV-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 28753   
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))
BDBM28753
PNG
(2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 64n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28753
PNG
(2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 93n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The confluent HEK293 cells were co-transfected with DNA construct containing PPARdelta-Gal4 chimeric receptor and Gal4-luciferase reporter. The lucif...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28753
PNG
(2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-...)
Show SMILES Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair