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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 = 'BDBM50176637'   
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))
BDBM50176637
PNG
((S)-2-((S)-5-(2-(2-(3,4-dichlorophenyl)-5-methylox...)
Show SMILES CC[C@@H]([C@@H]1CCc2cc(OCCc3nc(oc3C)-c3ccc(Cl)c(Cl)c3)ccc12)C(O)=O
Show InChI InChI=1S/C25H25Cl2NO4/c1-3-18(25(29)30)20-7-4-15-12-17(6-8-19(15)20)31-11-10-23-14(2)32-24(28-23)16-5-9-21(26)22(27)13-16/h5-6,8-9,12-13,18,20H,3-4,7,10-11H2,1-2H3,(H,29,30)/t18-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 46n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR gamma in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair