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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 527.9
BDBM50615955
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human))
BDBM50615955
(CHEMBL5283926)
Show SMILES
CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
UniChem
n/a
n/a
n/a
n/a
3.60
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human))
BDBM50615955
(CHEMBL5283926)
Show SMILES
CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
UniChem
n/a
n/a
n/a
n/a
400
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Mus musculus)
BDBM50615955
(CHEMBL5283926)
Show SMILES
CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
n/a
n/a
n/a
n/a
240
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta
(Mus musculus)
BDBM50615955
(CHEMBL5283926)
Show SMILES
CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
n/a
n/a
n/a
n/a
6.10
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha
(Mus musculus)
BDBM50615955
(CHEMBL5283926)
Show SMILES
CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
n/a
n/a
n/a
n/a
2.50E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50615955
(CHEMBL5283926)
Show SMILES
CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
UniChem
n/a
n/a
n/a
n/a
370
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair