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BDBM50106968 (S)-2-(2,5-Dimethyl-pyrrol-1-yl)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid::CHEMBL107794

SMILES: Cc1ccc(C)n1[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O

InChI Key: InChIKey=BZNSKKDWJQESLV-VWLOTQADSA-N

Data: 1 KI  1 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 = 50106968   
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))
BDBM50106968
PNG
((S)-2-(2,5-Dimethyl-pyrrol-1-yl)-3-{4-[2-(5-methyl...)
Show SMILES Cc1ccc(C)n1[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28N2O4/c1-18-9-10-19(2)29(18)25(27(30)31)17-21-11-13-23(14-12-21)32-16-15-24-20(3)33-26(28-24)22-7-5-4-6-8-22/h4-14,25H,15-17H2,1-3H3,(H,30,31)/t25-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Similars

PubMed
980n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay


Bioorg Med Chem Lett 11: 3111-3 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50106968
PNG
((S)-2-(2,5-Dimethyl-pyrrol-1-yl)-3-{4-[2-(5-methyl...)
Show SMILES Cc1ccc(C)n1[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28N2O4/c1-18-9-10-19(2)29(18)25(27(30)31)17-21-11-13-23(14-12-21)32-16-15-24-20(3)33-26(28-24)22-7-5-4-6-8-22/h4-14,25H,15-17H2,1-3H3,(H,30,31)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 710n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by funct...


Bioorg Med Chem Lett 11: 3111-3 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair