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PubMed code 12639569

Compile data set for download or QSAR
Found 23 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


(Rattus norvegicus (Rat))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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 0.0500n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50100706
PNG
(2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...)
Show SMILES CN1CCCC1c1ccc(Br)nc1
Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3
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 0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50078056
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...)
Show SMILES CN1CCCC1c1ccc(Cl)nc1
Show InChI InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
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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 1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451804
PNG
(CHEMBL349623)
Show SMILES CN1CCN=C1Cc1ccc(Cl)nc1 |c:4|
Show InChI InChI=1S/C10H12ClN3/c1-14-5-4-12-10(14)6-8-2-3-9(11)13-7-8/h2-3,7H,4-6H2,1H3
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 3.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451797
PNG
(CHEMBL349250)
Show SMILES CN1CCN=C1Cc1ccc(Br)nc1 |c:4|
Show InChI InChI=1S/C10H12BrN3/c1-14-5-4-12-10(14)6-8-2-3-9(11)13-7-8/h2-3,7H,4-6H2,1H3
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 7.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50094968
PNG
(3-(1-Methyl-4,5-dihydro-1H-imidazol-2-ylmethyl)-py...)
Show SMILES CN1CCN=C1Cc1cccnc1 |c:4|
Show InChI InChI=1S/C10H13N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h2-4,8H,5-7H2,1H3
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 7.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451794
PNG
(CHEMBL161944)
Show SMILES CN1CCCC1c1cnc2ccccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-8-4-7-14(16)12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3
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 11n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451805
PNG
(CHEMBL163042 | US10667515, Compound homonicotine)
Show SMILES CCN1CCCC1c1cccnc1
Show InChI InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3
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 17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451801
PNG
(CHEMBL292114)
Show SMILES COc1ccc(cn1)C1CCCN1C
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-5-6-11(14-2)12-8-9/h5-6,8,10H,3-4,7H2,1-2H3
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 22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50023328
PNG
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)
Show SMILES C1CNC(C1)c1cccnc1
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
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 30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451793
PNG
(CHEMBL163244)
Show SMILES CN1CCN=C1Cc1cnc2ccccc2c1 |c:4|
Show InChI InChI=1S/C14H15N3/c1-17-7-6-15-14(17)9-11-8-12-4-2-3-5-13(12)16-10-11/h2-5,8,10H,6-7,9H2,1H3
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 38n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451798
PNG
(CHEMBL163748)
Show SMILES COc1ccc(CC2=NCCN2C)cn1 |t:7|
Show InChI InChI=1S/C11H15N3O/c1-14-6-5-12-10(14)7-9-3-4-11(15-2)13-8-9/h3-4,8H,5-7H2,1-2H3
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 46n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451796
PNG
(CHEMBL356996)
Show SMILES CCN1CCN=C1Cc1cccnc1 |c:5|
Show InChI InChI=1S/C11H15N3/c1-2-14-7-6-13-11(14)8-10-4-3-5-12-9-10/h3-5,9H,2,6-8H2,1H3
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 150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451795
PNG
(CHEMBL329602)
Show SMILES CN1CCN=C1c1cccnc1 |c:4|
Show InChI InChI=1S/C9H11N3/c1-12-6-5-11-9(12)8-3-2-4-10-7-8/h2-4,7H,5-6H2,1H3
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 206n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451800
PNG
(CHEMBL343169)
Show SMILES C(C1=NCCN1)c1cccnc1 |t:1|
Show InChI InChI=1S/C9H11N3/c1-2-8(7-10-3-1)6-9-11-4-5-12-9/h1-3,7H,4-6H2,(H,11,12)
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 325n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451802
PNG
(CHEMBL163552)
Show SMILES C(N1CCCC1c1cccnc1)c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-2-6-14(7-3-1)13-18-11-5-9-16(18)15-8-4-10-17-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2
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 360n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451792
PNG
(CHEMBL141612)
Show SMILES C(N1CCN=C1Cc1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C16H17N3/c1-2-5-14(6-3-1)13-19-10-9-18-16(19)11-15-7-4-8-17-12-15/h1-8,12H,9-11,13H2
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 850n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451803
PNG
(CHEMBL160034)
Show SMILES CN1CCCC1c1cccnc1C
Show InChI InChI=1S/C11H16N2/c1-9-10(5-3-7-12-9)11-6-4-8-13(11)2/h3,5,7,11H,4,6,8H2,1-2H3
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 2.13E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451791
PNG
(CHEMBL351320)
Show SMILES CN1CCN=C1Cc1ccc(nc1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C16H17N3/c1-19-10-9-17-16(19)11-13-7-8-15(18-12-13)14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3
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 3.26E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50125053
PNG
(3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridine | CHEMBL42...)
Show SMILES C1CN=C(C1)c1cccnc1 |c:2|
Show InChI InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
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 3.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451790
PNG
(CHEMBL351446)
Show SMILES CN1CCN=C1Cc1cccnc1C |c:4|
Show InChI InChI=1S/C11H15N3/c1-9-10(4-3-5-12-9)8-11-13-6-7-14(11)2/h3-5H,6-8H2,1-2H3
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 5.42E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50451799
PNG
(CHEMBL350748)
Show SMILES CN1CCCC1c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-18-11-5-8-16(18)14-9-10-15(17-12-14)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,16H,5,8,11H2,1H3
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 9.44E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.

Bioorg Med Chem Lett 13: 733-5 (2003)


BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%