BindingDB logo
myBDB logout

BDBM50157936 (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID::(S)-2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-propionic acid::CHEMBL181937

SMILES: COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@@H](C)C(O)=O)c2cc(OC(F)(F)F)ccc12

InChI Key: InChIKey=BWTOBMCYVACNJZ-KRWDZBQOSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50157936   
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))
BDBM50157936
PNG
((2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)
Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@@H](C)C(O)=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)