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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50085577'   
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))
BDBM50085577
PNG
(5-(4-{2-[1-Biphenyl-4-yl-prop-(E)-ylideneaminooxy]...)
Show SMILES CC\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O4S/c1-2-24(22-12-10-21(11-13-22)20-6-4-3-5-7-20)29-33-17-16-32-23-14-8-19(9-15-23)18-25-26(30)28-27(31)34-25/h3-15,30H,2,16-18H2,1H3,(H,28,31)/b29-24+
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PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 1.60E+3n/an/an/an/a


TBA

Assay Description
Transactivation activity at PPARgamma (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9428-9
BindingDB Entry DOI: 10.7270/Q22Z18FD
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085577
PNG
(5-(4-{2-[1-Biphenyl-4-yl-prop-(E)-ylideneaminooxy]...)
Show SMILES CC\C(=N/OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O4S/c1-2-24(22-12-10-21(11-13-22)20-6-4-3-5-7-20)29-33-17-16-32-23-14-8-19(9-15-23)18-25-26(30)28-27(31)34-25/h3-15,30H,2,16-18H2,1H3,(H,28,31)/b29-24+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Peroxisome proliferator activated receptor gamma agonistic activity in HepG2 cells.


Bioorg Med Chem Lett 10: 373-5 (2000)


BindingDB Entry DOI: 10.7270/Q22B8ZJG
More data for this
Ligand-Target Pair