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BDBM50296712 3-{4-[2-Amino-6-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrimidin-4-yloxy]-phenyl}-2-methyl-2-phenoxy-propionic acid::CHEMBL561327

SMILES: CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)c2ncccn2)cc1)(Oc1ccccc1)C(O)=O

InChI Key: InChIKey=BNHDABHPDDHZAL-UHFFFAOYNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50296712   
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))
BDBM50296712
PNG
(3-{4-[2-Amino-6-(4-pyrimidin-2-yl-piperazin-1-yl)-...)
Show SMILES CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)c2ncccn2)cc1)(Oc1ccccc1)C(O)=O
Show InChI InChI=1/C28H29N7O4/c1-28(25(36)37,39-22-6-3-2-4-7-22)19-20-8-10-21(11-9-20)38-24-18-23(32-26(29)33-24)34-14-16-35(17-15-34)27-30-12-5-13-31-27/h2-13,18H,14-17,19H2,1H3,(H,36,37)(H2,29,32,33)
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 6.13E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in U2OS cells by luciferase transactivation assay


Bioorg Med Chem 17: 5722-32 (2009)


Article DOI: 10.1016/j.bmc.2009.05.082
BindingDB Entry DOI: 10.7270/Q2571CZ2
More data for this
Ligand-Target Pair