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3 similar compounds to monomer 50399783

Compile data set for download or QSAR
Wt: 347.4
BDBM50164951
Wt: 361.4
BDBM50164909
Wt: 361.4
BDBM50164930

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50164951,50164909,50164930   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164951
PNG
((E)-3-Phenyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N3O/c26-21(9-8-17-5-2-1-3-6-17)24-22-19-10-13-25(14-11-19)20(22)15-18-7-4-12-23-16-18/h1-9,12,16,19-20,22H,10-11,13-15H2,(H,24,26)/b9-8+/t20-,22-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164930
PNG
((E)-2-Methyl-3-phenyl-N-((2R,3R)-2-pyridin-3-ylmet...)
Show SMILES C\C(=C/c1ccccc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C23H27N3O/c1-17(14-18-6-3-2-4-7-18)23(27)25-22-20-9-12-26(13-10-20)21(22)15-19-8-5-11-24-16-19/h2-8,11,14,16,20-22H,9-10,12-13,15H2,1H3,(H,25,27)/b17-14+/t21-,22-/m1/s1
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5n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164909
PNG
((E)-3-Phenyl-but-2-enoic acid ((2R,3R)-2-pyridin-3...)
Show SMILES C\C(=C/C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-17(19-7-3-2-4-8-19)14-22(27)25-23-20-9-12-26(13-10-20)21(23)15-18-6-5-11-24-16-18/h2-8,11,14,16,20-21,23H,9-10,12-13,15H2,1H3,(H,25,27)/b17-14+/t21-,23-/m1/s1
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87n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164951
PNG
((E)-3-Phenyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N3O/c26-21(9-8-17-5-2-1-3-6-17)24-22-19-10-13-25(14-11-19)20(22)15-18-7-4-12-23-16-18/h1-9,12,16,19-20,22H,10-11,13-15H2,(H,24,26)/b9-8+/t20-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164909
PNG
((E)-3-Phenyl-but-2-enoic acid ((2R,3R)-2-pyridin-3...)
Show SMILES C\C(=C/C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C23H27N3O/c1-17(19-7-3-2-4-8-19)14-22(27)25-23-20-9-12-26(13-10-20)21(23)15-18-6-5-11-24-16-18/h2-8,11,14,16,20-21,23H,9-10,12-13,15H2,1H3,(H,25,27)/b17-14+/t21-,23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164930
PNG
((E)-2-Methyl-3-phenyl-N-((2R,3R)-2-pyridin-3-ylmet...)
Show SMILES C\C(=C/c1ccccc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C23H27N3O/c1-17(14-18-6-3-2-4-7-18)23(27)25-22-20-9-12-26(13-10-20)21(22)15-19-8-5-11-24-16-19/h2-8,11,14,16,20-22H,9-10,12-13,15H2,1H3,(H,25,27)/b17-14+/t21-,22-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair