BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50498892'   
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))
BDBM50498892
PNG
(CHEMBL3734773)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(C)C |r|
Show InChI InChI=1S/C38H40N2O3/c1-23(2)29-10-9-11-30(20-29)36(24(3)4)39-37(41)31-18-19-35-34(21-31)25(5)26(6)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)38(42)43/h7-21,23-24,36H,22H2,1-6H3,(H,39,41)(H,42,43)/t36-/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 80n/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))
BDBM50498892
PNG
(CHEMBL3734773)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C(C)C |r|
Show InChI InChI=1S/C38H40N2O3/c1-23(2)29-10-9-11-30(20-29)36(24(3)4)39-37(41)31-18-19-35-34(21-31)25(5)26(6)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)38(42)43/h7-21,23-24,36H,22H2,1-6H3,(H,39,41)(H,42,43)/t36-/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 133n/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