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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
Contribute data
Sent Comments
null
SMILES:
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
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 = 50590799
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
Mu-type opioid receptor
(Homo sapiens (Human))
BDBM50590799
(CHEMBL5179132)
Show SMILES
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
6.5
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.ejmech.2022.114649
BindingDB Entry DOI:
10.7270/Q2F47T3Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig))
BDBM50590799
(CHEMBL5179132)
Show SMILES
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
36
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.ejmech.2022.114649
BindingDB Entry DOI:
10.7270/Q2F47T3Z
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50590799
(CHEMBL5179132)
Show SMILES
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
448
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.ejmech.2022.114649
BindingDB Entry DOI:
10.7270/Q2F47T3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor
(Homo sapiens (Human))
BDBM50590799
(CHEMBL5179132)
Show SMILES
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
Show InChI
PDB
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
49
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114649
BindingDB Entry DOI:
10.7270/Q2F47T3Z
More data for this
Ligand-Target Pair
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