BindingDB logo
myBDB logout

BDBM50384983 CHEMBL2035060

SMILES: Cc1nc(sc1C(Cc1ccc(F)cc1F)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=UDYJBTDOLSXTBP-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 = 50384983   
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 delta


(Homo sapiens (Human))
BDBM50384983
PNG
(CHEMBL2035060)
Show SMILES Cc1nc(sc1C(Cc1ccc(F)cc1F)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H22F5NO3S2/c1-15-11-21(9-10-23(15)37-14-25(35)36)38-24(12-18-5-8-20(29)13-22(18)30)26-16(2)34-27(39-26)17-3-6-19(7-4-17)28(31,32)33/h3-11,13,24H,12,14H2,1-2H3,(H,35,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.60n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Transactivation activity at human PPARdelta expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 53: 190-202 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.055
BindingDB Entry DOI: 10.7270/Q2JW8FX2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50384983
PNG
(CHEMBL2035060)
Show SMILES Cc1nc(sc1C(Cc1ccc(F)cc1F)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H22F5NO3S2/c1-15-11-21(9-10-23(15)37-14-25(35)36)38-24(12-18-5-8-20(29)13-22(18)30)26-16(2)34-27(39-26)17-3-6-19(7-4-17)28(31,32)33/h3-11,13,24H,12,14H2,1-2H3,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Seoul National University

Curated by ChEMBL


Assay Description
Transactivation activity at human PPARgamma expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 53: 190-202 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.055
BindingDB Entry DOI: 10.7270/Q2JW8FX2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50384983
PNG
(CHEMBL2035060)
Show SMILES Cc1nc(sc1C(Cc1ccc(F)cc1F)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H22F5NO3S2/c1-15-11-21(9-10-23(15)37-14-25(35)36)38-24(12-18-5-8-20(29)13-22(18)30)26-16(2)34-27(39-26)17-3-6-19(7-4-17)28(31,32)33/h3-11,13,24H,12,14H2,1-2H3,(H,35,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Seoul National University

Curated by ChEMBL


Assay Description
Transactivation activity at human PPARalpha expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 53: 190-202 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.055
BindingDB Entry DOI: 10.7270/Q2JW8FX2
More data for this
Ligand-Target Pair