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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
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Deposition
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Sent Comments
null
SMILES:
CCc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
4
hits for monomerid = 50596503
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50596503
(CHEMBL5183133)
Show SMILES
CCc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
3.60E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128567
BindingDB Entry DOI:
10.7270/Q2KK9GV5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta
(Mus musculus)
BDBM50596503
(CHEMBL5183133)
Show SMILES
CCc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
330
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128567
BindingDB Entry DOI:
10.7270/Q2KK9GV5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human))
BDBM50596503
(CHEMBL5183133)
Show SMILES
CCc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
120
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128567
BindingDB Entry DOI:
10.7270/Q2KK9GV5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50596503
(CHEMBL5183133)
Show SMILES
CCc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
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
680
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128567
BindingDB Entry DOI:
10.7270/Q2KK9GV5
More data for this
Ligand-Target Pair
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