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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit beta-4'   
Target
(Institution)
LigandTarget
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 beta-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
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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0.0200n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110258
PNG
((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...)
Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110262
PNG
(2-Pyridazin-4-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1ccnnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-7-13-14-8-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110260
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | 2-P...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2/t11-,13?/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
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
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19n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110259
PNG
(2-Pyrimidin-5-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cncnc1
Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1
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20n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
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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73n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-4


(Rattus norvegicus (Rat))
BDBM50110263
PNG
(2-Pyrazin-2-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2N[C@H]1CCC=C2c1cnccn1
Show InChI InChI=1S/C12H15N3/c1-2-9-4-5-11(15-9)10(3-1)12-8-13-6-7-14-12/h3,6-9,11,15H,1-2,4-5H2/t9-,11?/m0/s1
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259n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische Chemie der Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland


J Med Chem 45: 1064-72 (2002)

More data for this
Ligand-Target Pair