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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F
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
6
hits for monomerid = 50615961
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 delta
(Homo sapiens (Human))
BDBM50615961
(CHEMBL5268424)
Show SMILES
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
6.20
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))
BDBM50615961
(CHEMBL5268424)
Show SMILES
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
1.10E+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
(Mus musculus)
BDBM50615961
(CHEMBL5268424)
Show SMILES
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
670
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)
BDBM50615961
(CHEMBL5268424)
Show SMILES
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
26
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)
BDBM50615961
(CHEMBL5268424)
Show SMILES
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
3.80E+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))
BDBM50615961
(CHEMBL5268424)
Show SMILES
CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
1.90E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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