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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 176.2
BDBM50548708
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
17
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
26
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhbition of [3H] nicotine binding to rat brain alpha4beta2 nAChR
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
B2 bradykinin receptor
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from B2 bradykinin receptor (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from 5-hydroxytryptamine receptor 3A (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from 5-hydroxytryptamine receptor 2A (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from 5-hydroxytryptamine receptor 1A (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
D(3) dopamine receptor
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from dopamine D3 receptor (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Thromboxane A2 receptor
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from Thromboxane A2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from NPY2R (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from cholecystokinin receptor type A (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Histamine H3 receptor
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from Histamine H3 receptor (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from muscarinic M3 receptor (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from muscarinic M2 receptor (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from muscarinic M1 receptor (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Endothelin receptor type B
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from Endothelin receptor type B (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Endothelin-1 receptor
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from Endothelin receptor type A (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]nicotine from cholecystokinin receptor type B (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat))
BDBM50548708
(CHEMBL4779424)
Show SMILES
CN(C)CC\C=C\c1cccnc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
732
n/a
n/a
n/a
n/a
TBA
Assay Description
Agonist activity at alpha4beta2 nAChR in rat thalamic synaptosomes assessed as increase in 86Rb efflux
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115820
BindingDB Entry DOI:
10.7270/Q2WW7N96
More data for this
Ligand-Target Pair