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BDBM50535441 CHEMBL4461490

SMILES: CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(cc2)C#N)cc1)C(O)=O

InChI Key: InChIKey=VOSOHADSHGYQNQ-BYYHNAKLSA-N

Data: 2 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 2 hits for monomerid = 50535441   
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))
BDBM50535441
PNG
(CHEMBL4461490)
Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(cc2)C#N)cc1)C(O)=O
Show InChI InChI=1S/C25H23N3O4/c1-25(2,24(29)30)32-23-11-5-18(6-12-23)15-16-31-22-13-9-21(10-14-22)28-27-20-7-3-19(17-26)4-8-20/h3-14H,15-16H2,1-2H3,(H,29,30)/b28-27+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.50E+3n/an/an/an/a



University of Chieti "G. d.Annunzio"

Curated by ChEMBL


Assay Description
Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...


ACS Med Chem Lett 10: 545-551 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00574
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50535441
PNG
(CHEMBL4461490)
Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(cc2)C#N)cc1)C(O)=O
Show InChI InChI=1S/C25H23N3O4/c1-25(2,24(29)30)32-23-11-5-18(6-12-23)15-16-31-22-13-9-21(10-14-22)28-27-20-7-3-19(17-26)4-8-20/h3-14H,15-16H2,1-2H3,(H,29,30)/b28-27+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60E+3n/an/an/an/a



University of Chieti "G. d.Annunzio"

Curated by ChEMBL


Assay Description
Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...


ACS Med Chem Lett 10: 545-551 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00574
More data for this
Ligand-Target Pair