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PubMed code 16005216

Compile data set for download or QSAR
Found 20 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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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1n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50170270
PNG
(CHEMBL182530 | S(-)nicotine-B)
Show SMILES CN1CCC[C@H]1c1ccc[n+](BC#N)c1
Show InChI InChI=1S/C11H15BN3/c1-14-6-3-5-11(14)10-4-2-7-15(8-10)12-9-13/h2,4,7-8,11-12H,3,5-6H2,1H3/q+1/t11-/m0/s1
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41n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50099562
PNG
((3aS,9bR)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@@H]2CCc3ccncc3[C@H]12
Show InChI InChI=1S/C12H16N2/c1-14-7-5-10-3-2-9-4-6-13-8-11(9)12(10)14/h4,6,8,10,12H,2-3,5,7H2,1H3/t10-,12+/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50099562
PNG
((3aS,9bR)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@@H]2CCc3ccncc3[C@H]12
Show InChI InChI=1S/C12H16N2/c1-14-7-5-10-3-2-9-4-6-13-8-11(9)12(10)14/h4,6,8,10,12H,2-3,5,7H2,1H3/t10-,12+/m0/s1
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590n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to alpha7 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50170269
PNG
((2R,6S)-12-(cyanoboranyl)-3-methyl-3,12-diazatricy...)
Show SMILES CN1CC[C@@H]2CCc3cc[n+](BC#N)cc3[C@H]12
Show InChI InChI=1S/C13H17BN3/c1-16-6-4-11-3-2-10-5-7-17(14-9-15)8-12(10)13(11)16/h5,7-8,11,13-14H,2-4,6H2,1H3/q+1/t11-,13+/m0/s1
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600n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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770n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to alpha7 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50170269
PNG
((2R,6S)-12-(cyanoboranyl)-3-methyl-3,12-diazatricy...)
Show SMILES CN1CC[C@@H]2CCc3cc[n+](BC#N)cc3[C@H]12
Show InChI InChI=1S/C13H17BN3/c1-16-6-4-11-3-2-10-5-7-17(14-9-15)8-12(10)13(11)16/h5,7-8,11,13-14H,2-4,6H2,1H3/q+1/t11-,13+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to rat alpha7 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50099564
PNG
((3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@H]2CCc3ncccc3[C@@H]12
Show InChI InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3/t9-,12+/m1/s1
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1.22E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50170270
PNG
(CHEMBL182530 | S(-)nicotine-B)
Show SMILES CN1CCC[C@H]1c1ccc[n+](BC#N)c1
Show InChI InChI=1S/C11H15BN3/c1-14-6-3-5-11(14)10-4-2-7-15(8-10)12-9-13/h2,4,7-8,11-12H,3,5-6H2,1H3/q+1/t11-/m0/s1
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1.52E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to alpha7 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50170271
PNG
((2S,6R)-10-(cyanoboranyl)-3-methyl-3,10-diazatricy...)
Show SMILES CN1CC[C@H]2CCc3c(ccc[n+]3BC#N)[C@@H]12
Show InChI InChI=1S/C13H17BN3/c1-16-8-6-10-4-5-12-11(13(10)16)3-2-7-17(12)14-9-15/h2-3,7,10,13-14H,4-6,8H2,1H3/q+1/t10-,13+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to rat alpha7 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50170271
PNG
((2S,6R)-10-(cyanoboranyl)-3-methyl-3,10-diazatricy...)
Show SMILES CN1CC[C@H]2CCc3c(ccc[n+]3BC#N)[C@@H]12
Show InChI InChI=1S/C13H17BN3/c1-16-8-6-10-4-5-12-11(13(10)16)3-2-7-17(12)14-9-15/h2-3,7,10,13-14H,4-6,8H2,1H3/q+1/t10-,13+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to rat alpha4-beta2 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50099564
PNG
((3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@H]2CCc3ncccc3[C@@H]12
Show InChI InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3/t9-,12+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to alpha7 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50170270
PNG
(CHEMBL182530 | S(-)nicotine-B)
Show SMILES CN1CCC[C@H]1c1ccc[n+](BC#N)c1
Show InChI InChI=1S/C11H15BN3/c1-14-6-3-5-11(14)10-4-2-7-15(8-10)12-9-13/h2,4,7-8,11-12H,3,5-6H2,1H3/q+1/t11-/m0/s1
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n/an/an/an/a 2.10E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha7 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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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n/an/an/an/a 1.30E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha7 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha4-beta2 nicotinic acetylcholinereceptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50170270
PNG
(CHEMBL182530 | S(-)nicotine-B)
Show SMILES CN1CCC[C@H]1c1ccc[n+](BC#N)c1
Show InChI InChI=1S/C11H15BN3/c1-14-6-3-5-11(14)10-4-2-7-15(8-10)12-9-13/h2,4,7-8,11-12H,3,5-6H2,1H3/q+1/t11-/m0/s1
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n/an/an/an/a 2.80E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha3-beta4 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50099562
PNG
((3aS,9bR)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@@H]2CCc3ccncc3[C@H]12
Show InChI InChI=1S/C12H16N2/c1-14-7-5-10-3-2-9-4-6-13-8-11(9)12(10)14/h4,6,8,10,12H,2-3,5,7H2,1H3/t10-,12+/m0/s1
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n/an/an/an/a 4.40E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha7 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50170270
PNG
(CHEMBL182530 | S(-)nicotine-B)
Show SMILES CN1CCC[C@H]1c1ccc[n+](BC#N)c1
Show InChI InChI=1S/C11H15BN3/c1-14-6-3-5-11(14)10-4-2-7-15(8-10)12-9-13/h2,4,7-8,11-12H,3,5-6H2,1H3/q+1/t11-/m0/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha4-beta2 nicotinic acetylcholinereceptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50170269
PNG
((2R,6S)-12-(cyanoboranyl)-3-methyl-3,12-diazatricy...)
Show SMILES CN1CC[C@@H]2CCc3cc[n+](BC#N)cc3[C@H]12
Show InChI InChI=1S/C13H17BN3/c1-16-6-4-11-3-2-10-5-7-17(14-9-15)8-12(10)13(11)16/h5,7-8,11,13-14H,2-4,6H2,1H3/q+1/t11-,13+/m0/s1
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha7 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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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n/an/an/an/a 8.60E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against rat alpha3-beta4 nicotinic acetylcholine receptor


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%