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PubMed code 23461628

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))
BDBM50428369
PNG
((+)-Anatoxin-A | CHEMBL2332144)
Show SMILES CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
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Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50428369
PNG
((+)-Anatoxin-A | CHEMBL2332144)
Show SMILES CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
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PubMed
91n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50428368
PNG
(CHEMBL2332145)
Show SMILES CC(=O)C1=CC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m1/s1
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94n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50428372
PNG
(CHEMBL2332152)
Show SMILES CC(C)C(=O)N[C@H]1CCN2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C12H22N2O/c1-9(2)12(15)13-10-6-8-14-7-4-3-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m0/s1
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2.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50428371
PNG
(CHEMBL2332153)
Show SMILES CC(C)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C12H22N2O/c1-9(2)12(15)13-10-6-8-14-7-4-3-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t10-,11+/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50428370
PNG
((+)-Laburnamine | CHEMBL2332146)
Show SMILES CCC(C)C(=O)N[C@H]1CCN2CCC[C@H]12 |r|
Show InChI InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-6-8-14-7-4-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11+/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50428368
PNG
(CHEMBL2332145)
Show SMILES CC(=O)C1=CC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m1/s1
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PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine from alpha7 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%