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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50016820   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597522
PNG
(CHEMBL5193143)
Show SMILES [I-].CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597520
PNG
(CHEMBL5200914)
Show SMILES [I-].C[N+]1(C)CCC[C@@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597504
PNG
(CHEMBL5177606)
Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1
PDB
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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597518
PNG
(CHEMBL5182114)
Show SMILES C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1
PDB
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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597512
PNG
(CHEMBL5201239)
Show SMILES [I-].C[N+]1(C)CC[C@@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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2.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597517
PNG
(CHEMBL5171118)
Show SMILES [I-].C[N+]1(C)CCC(CC1)Oc1ccc(\C=C\c2ccccc2)cc1
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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5.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597510
PNG
(CHEMBL5176690)
Show SMILES [I-].C[N+]1(C)CC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB
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6.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597506
PNG
(CHEMBL5190813)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
PDB
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6.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597507
PNG
(CHEMBL5176101)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCCC1
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7.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597513
PNG
(CHEMBL5178473)
Show SMILES [I-].C[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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9.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597508
PNG
(CHEMBL5193899)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCOCC1
PDB
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597511
PNG
(CHEMBL5202770)
Show SMILES [I-].C[N+]1(C)CCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597521
PNG
(CHEMBL5184266)
Show SMILES [I-].CC[N+](C)(CC)[C@@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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12n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597505
PNG
(CHEMBL5174508)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCC1
PDB
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15n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50597519
PNG
(CHEMBL5197631)
Show SMILES [I-].C[N+]1(C)CCC[C@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
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19n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597513
PNG
(CHEMBL5178473)
Show SMILES [I-].C[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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23n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597504
PNG
(CHEMBL5177606)
Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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33n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597498
PNG
(CHEMBL5192210)
Show SMILES [I-].CC[N+](C)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
PDB

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34n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597504
PNG
(CHEMBL5177606)
Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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37n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597507
PNG
(CHEMBL5176101)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCCC1
PDB

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44n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597511
PNG
(CHEMBL5202770)
Show SMILES [I-].C[N+]1(C)CCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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59n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597512
PNG
(CHEMBL5201239)
Show SMILES [I-].C[N+]1(C)CC[C@@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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73n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597506
PNG
(CHEMBL5190813)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
PDB

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77n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597510
PNG
(CHEMBL5176690)
Show SMILES [I-].C[N+]1(C)CC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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79n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597506
PNG
(CHEMBL5190813)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
PDB

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94n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597518
PNG
(CHEMBL5182114)
Show SMILES C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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95n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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104n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597520
PNG
(CHEMBL5200914)
Show SMILES [I-].C[N+]1(C)CCC[C@@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
PDB

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110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597505
PNG
(CHEMBL5174508)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCC1
PDB

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112n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597519
PNG
(CHEMBL5197631)
Show SMILES [I-].C[N+]1(C)CCC[C@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
PDB

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117n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597519
PNG
(CHEMBL5197631)
Show SMILES [I-].C[N+]1(C)CCC[C@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
PDB

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147n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597498
PNG
(CHEMBL5192210)
Show SMILES [I-].CC[N+](C)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
PDB

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158n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597520
PNG
(CHEMBL5200914)
Show SMILES [I-].C[N+]1(C)CCC[C@@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
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159n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597507
PNG
(CHEMBL5176101)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCCC1
PDB

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163n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597515
PNG
(CHEMBL5181363)
Show SMILES [I-].CC[N+]1(CC)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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176n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597514
PNG
(CHEMBL5176544)
Show SMILES [I-].CC[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
PDB

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222n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597518
PNG
(CHEMBL5182114)
Show SMILES C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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248n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597497
PNG
(CHEMBL5170445)
Show SMILES [I-].CC[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1
PDB

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259n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597508
PNG
(CHEMBL5193899)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCOCC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597497
PNG
(CHEMBL5170445)
Show SMILES [I-].CC[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1
PDB

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284n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597508
PNG
(CHEMBL5193899)
Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCOCC1
PDB

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285n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50188952
PNG
(CHEMBL379830 | N,N,N-trimethyl-2-(4-styrylphenoxy)...)
Show SMILES C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C19H24NO/c1-20(2,3)15-16-21-19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/q+1/b10-9+
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306n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597517
PNG
(CHEMBL5171118)
Show SMILES [I-].C[N+]1(C)CCC(CC1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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368n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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433n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597521
PNG
(CHEMBL5184266)
Show SMILES [I-].CC[N+](C)(CC)[C@@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r|
PDB

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546n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597522
PNG
(CHEMBL5193143)
Show SMILES [I-].CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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567n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50597511
PNG
(CHEMBL5202770)
Show SMILES [I-].C[N+]1(C)CCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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576n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597517
PNG
(CHEMBL5171118)
Show SMILES [I-].C[N+]1(C)CCC(CC1)Oc1ccc(\C=C\c2ccccc2)cc1
PDB

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613n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50597515
PNG
(CHEMBL5181363)
Show SMILES [I-].CC[N+]1(CC)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
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635n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI: 10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
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