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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
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Deposition
Contribute data
Sent Comments
null
SMILES:
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F
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 = 50599849
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
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human))
BDBM50599849
(CHEMBL5184607)
Show SMILES
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
8.80
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
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50599849
(CHEMBL5184607)
Show SMILES
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
206
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
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50599849
(CHEMBL5184607)
Show SMILES
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
1.05E+3
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
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50599849
(CHEMBL5184607)
Show SMILES
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.98E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128615
BindingDB Entry DOI:
10.7270/Q2DV1PXQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor
(Homo sapiens (Human))
BDBM50599849
(CHEMBL5184607)
Show SMILES
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
>1.00E+4
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
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50599849
(CHEMBL5184607)
Show SMILES
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128615
BindingDB Entry DOI:
10.7270/Q2DV1PXQ
More data for this
Ligand-Target Pair
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