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BDBM50109262 CHEMBL3601088

InChI string: InChI=1/C33H28F3N3O4/c34-33(35,36)27-13-9-23(10-14-27)19-37-30(40)25-11-15-28(16-12-25)38-31(41)26-8-4-7-24(17-26)20-39-29(21-43-32(39)42)18-22-5-2-1-3-6-22/h1-17,29H,18-21H2,(H,37,40)(H,38,41)/t29-/s2

SMILES: FC(F)(F)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4[C@H](Cc5ccccc5)COC4=O)c3)cc2)cc1

InChI Key: InChIKey=TYIAGOIUAXCVPG-KSTXGFNDNA-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 = 50109262   
Target
(Institution)
LigandTarget
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))
BDBM50109262
PNG
(CHEMBL3601088)
Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4[C@H](Cc5ccccc5)COC4=O)c3)cc2)cc1
Show InChI InChI=1/C33H28F3N3O4/c34-33(35,36)27-13-9-23(10-14-27)19-37-30(40)25-11-15-28(16-12-25)38-31(41)26-8-4-7-24(17-26)20-39-29(21-43-32(39)42)18-22-5-2-1-3-6-22/h1-17,29H,18-21H2,(H,37,40)(H,38,41)/t29-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/an/an/a>1n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


J Med Chem 58: 6639-52 (2015)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109262
PNG
(CHEMBL3601088)
Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4[C@H](Cc5ccccc5)COC4=O)c3)cc2)cc1
Show InChI InChI=1/C33H28F3N3O4/c34-33(35,36)27-13-9-23(10-14-27)19-37-30(40)25-11-15-28(16-12-25)38-31(41)26-8-4-7-24(17-26)20-39-29(21-43-32(39)42)18-22-5-2-1-3-6-22/h1-17,29H,18-21H2,(H,37,40)(H,38,41)/t29-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a>1n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


J Med Chem 58: 6639-52 (2015)

More data for this
Ligand-Target Pair