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PDB code 3B3K

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 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

  (282/283 > 99%)
(Homo sapiens (human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/s2
PDB
MMDB

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KEGG

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Article
PubMed
n/an/an/an/a 480n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


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

  (282/283 > 99%)
(Homo sapiens (human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/s2
PDB
MMDB

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KEGG

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CHEMBL
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PC cid
PC sid
PDB
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Article
PubMed
n/an/an/an/a 500n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


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

  (282/283 > 99%)
(Homo sapiens (human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
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Article
PubMed
n/an/an/an/a 480n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...


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

  (282/283 > 99%)
(Homo sapiens (human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/s2
PDB
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KEGG

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PubMed
n/an/an/an/a 550n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


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

  (282/283 > 99%)
(Homo sapiens (human))
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/s2
PDB
MMDB

NCI pathway
Reactome pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 560n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...


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