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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 = 'BDBM50466690'   
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))
BDBM50466690
PNG
(CHEMBL4293295)
Show SMILES CCc1ccc(nc1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r|
Show InChI InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m1/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.12E+3n/an/an/an/an/an/a



SPTanis PharmaChem Consulting LLC

Curated by ChEMBL


Assay Description
Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-...


Bioorg Med Chem 26: 5870-5884 (2018)


Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50466690
PNG
(CHEMBL4293295)
Show SMILES CCc1ccc(nc1)[C@H](O)COc1ccc(CC2SC(=O)NC2=O)cc1 |r|
Show InChI InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)/t16-,17?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 271n/an/an/an/a



SPTanis PharmaChem Consulting LLC

Curated by ChEMBL


Assay Description
Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ...


Bioorg Med Chem 26: 5870-5884 (2018)


Article DOI: 10.1016/j.bmc.2018.10.033
BindingDB Entry DOI: 10.7270/Q2XD14DJ
More data for this
Ligand-Target Pair