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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: 505.3
BDBM50584495
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
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 alpha
(Homo sapiens (Human))
BDBM50584495
(CHEMBL5077842)
Show SMILES
CC(C)(Oc1ccc(Cn2ncn(-c3ccc(cc3)C(F)(F)F)c2=O)cc1OC(F)(F)F)C(O)=O
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
382
n/a
n/a
n/a
n/a
TBA
Assay Description
Agonist activity at PPARalpha (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02002
BindingDB Entry DOI:
10.7270/Q2VQ36KV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50584495
(CHEMBL5077842)
Show SMILES
CC(C)(Oc1ccc(Cn2ncn(-c3ccc(cc3)C(F)(F)F)c2=O)cc1OC(F)(F)F)C(O)=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.45E+3
n/a
n/a
n/a
n/a
TBA
Assay Description
Agonist activity at PPARgamma (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02002
BindingDB Entry DOI:
10.7270/Q2VQ36KV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human))
BDBM50584495
(CHEMBL5077842)
Show SMILES
CC(C)(Oc1ccc(Cn2ncn(-c3ccc(cc3)C(F)(F)F)c2=O)cc1OC(F)(F)F)C(O)=O
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
124
n/a
n/a
n/a
n/a
TBA
Assay Description
Agonist activity at PPARdelta (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02002
BindingDB Entry DOI:
10.7270/Q2VQ36KV
More data for this
Ligand-Target Pair