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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 = 'BDBM50322677'   
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))		BDBM50322677
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(butylthio)pyrimi...)
Show SMILES CCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C23H25N3O2S2/c1-2-3-14-29-23-25-20(24-15-17-10-6-4-7-11-17)19(22(27)28)21(26-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,27,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
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PC cid
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Similars
Article
PubMed
n/an/an/an/a 550n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair