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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 = 'BDBM50100444'   
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))
BDBM50100444
PNG
(2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

PubMed
n/an/a 4.56E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma)


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50100444
PNG
(2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 1.72E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human PPAR gamma


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair