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Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'pucci' and Initial = 's'   
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))
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))
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))
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
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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


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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
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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))
BDBM50357064
PNG
(CHEMBL1917231)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1
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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
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
PDB
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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))
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))
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))
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


(Rattus norvegicus (Rat))
BDBM50357064
PNG
(CHEMBL1917231)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
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-3/beta-4


(Homo sapiens (Human))
BDBM50549596
PNG
(CHEMBL4785648)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 cell membranes preincubated for 5 mins followed by [3H]-epibatidine add...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50549596
PNG
(CHEMBL4785648)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r|
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
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
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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
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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
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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-4/beta-2


(Homo sapiens (Human))
BDBM50549596
PNG
(CHEMBL4785648)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r|
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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
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
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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))
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


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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))
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


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



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis


J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
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|
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110n/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))
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


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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-4/beta-2


(Homo sapiens (Human))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
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114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
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|
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117n/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-4/beta-2


(Rattus norvegicus (Rat))
BDBM50549595
PNG
(CHEMBL4741357)
Show SMILES [H][C@]1(CCCN1C)[C@@]1([H])COc2c(N)cccc2O1 |r|
PDB
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131n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50549611
PNG
(CHEMBL4758050)
Show SMILES [H][C@]1(CCCN1C)[C@@]1([H])COc2ccc(N)cc2O1 |r|
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140n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
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|
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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|
PDB

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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-7


(Homo sapiens (Human))
BDBM50466608
PNG
(CHEMBL4285772)
Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+
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164n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis


J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
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-3/beta-4


(Homo sapiens (Human))
BDBM50549611
PNG
(CHEMBL4758050)
Show SMILES [H][C@]1(CCCN1C)[C@@]1([H])COc2ccc(N)cc2O1 |r|
PDB

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180n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 cell membranes preincubated for 5 mins followed by [3H]-epibatidine add...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50466614
PNG
(CHEMBL4291079)
Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+
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186n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis


J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50466613
PNG
(CHEMBL4287656)
Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+
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189n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis


J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
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