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PDB code 3BC5

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (275/275 = 100%)
(Homo sapiens (human))
BDBM50248410
PNG
((5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy...)
Show SMILES Cc1oc(nc1CCOc1cccc(Cc2nn(nc2CC(O)=O)-c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
PDB
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AffyNet 
PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma (unknown origin) by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor

  (275/275 = 100%)
(Homo sapiens (human))
BDBM50248410
PNG
((5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy...)
Show SMILES Cc1oc(nc1CCOc1cccc(Cc2nn(nc2CC(O)=O)-c2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output