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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50426771'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50426771
PNG
(CHEMBL2322440)
Show SMILES CCc1nc2ccn(CC(O)=O)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
Show InChI InChI=1S/C26H23N7O3/c1-2-22-27-20-11-12-32(14-23(34)35)26(36)24(20)33(22)21-10-8-16-13-15(7-9-18(16)21)17-5-3-4-6-19(17)25-28-30-31-29-25/h3-7,9,11-13,21H,2,8,10,14H2,1H3,(H,34,35)(H,28,29,30,31)/t21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by transactivation assay


Bioorg Med Chem Lett 23: 767-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.088
BindingDB Entry DOI: 10.7270/Q2542PW7
More data for this
Ligand-Target Pair