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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
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null
SMILES:
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1
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 = 50563852
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
Free fatty acid receptor 1
(Homo sapiens (Human))
BDBM50563852
(CHEMBL4794233)
Show SMILES
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
100
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Free fatty acid receptor 1
(Homo sapiens (Human))
BDBM50563852
(CHEMBL4794233)
Show SMILES
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
72
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Free fatty acid receptor 1
(Mus musculus)
BDBM50563852
(CHEMBL4794233)
Show SMILES
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
18
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4
(Rattus norvegicus)
BDBM50563852
(CHEMBL4794233)
Show SMILES
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
100
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Free fatty acid receptor 1
(Homo sapiens (Human))
BDBM50563852
(CHEMBL4794233)
Show SMILES
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
17
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Free fatty acid receptor 1
(Homo sapiens (Human))
BDBM50563852
(CHEMBL4794233)
Show SMILES
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
520
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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