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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 = 'BDBM50498883'   
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))
BDBM50498883
PNG
(CHEMBL3736229)
Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r|
Show InChI InChI=1S/C36H36N2O3/c1-22(2)28-9-8-10-29(19-28)24(4)37-35(39)30-17-18-34-33(20-30)23(3)25(5)38(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)36(40)41/h6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe


ACS Med Chem Lett 6: 998-1003 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50498883
PNG
(CHEMBL3736229)
Show SMILES CC(C)c1cccc(c1)[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1 |r|
Show InChI InChI=1S/C36H36N2O3/c1-22(2)28-9-8-10-29(19-28)24(4)37-35(39)30-17-18-34-33(20-30)23(3)25(5)38(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)36(40)41/h6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 852n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma in HEK293T cells after 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 998-1003 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00218
BindingDB Entry DOI: 10.7270/Q29026SZ
More data for this
Ligand-Target Pair