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Compile Data Set for Download or QSAR

Found 1527 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 0.200n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 0.400n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2
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/t8-,9+,10+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50115289
PNG
(7-Pyridin-3-ylmethyl-7-aza-bicyclo[2.2.1]heptane |...)
Show SMILES C(N1C2CCC1CC2)c1cccnc1
Show InChI InChI=1S/C12H16N2/c1-2-10(8-13-7-1)9-14-11-3-4-12(14)6-5-11/h1-2,7-8,11-12H,3-6,9H2
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n/an/an/an/a 1.40n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at aNicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50465459
PNG
(CHEMBL4290888)
Show SMILES Clc1ccc2[C@H]3CN[C@@H]4CC[C@]34Oc2n1
Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2/t7-,8-,11+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method


J Nat Prod 81: 1029-1035 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00062
BindingDB Entry DOI: 10.7270/Q2R49TF0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50465456
PNG
(CHEMBL4283703)
Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1
Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2
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n/an/an/an/a 3.10n/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method


J Nat Prod 81: 1029-1035 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00062
BindingDB Entry DOI: 10.7270/Q2R49TF0
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
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 7.30n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 8.80n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 14n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 16n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 17n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Functional potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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n/an/an/an/a 18n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50279369
PNG
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+
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n/an/an/an/a 18n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50465457
PNG
(PHANTASMIDINE | Phantasmidine)
Show SMILES Clc1ccc2[C@@H]3CN[C@H]4CC[C@@]34Oc2n1
Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2/t7-,8-,11+/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method


J Nat Prod 81: 1029-1035 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00062
BindingDB Entry DOI: 10.7270/Q2R49TF0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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n/an/an/an/a 48n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic)


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50473790
PNG
(CHEMBL323143)
Show SMILES Clc1ccc(CN2C3CCC2CC3)cn1
Show InChI InChI=1S/C12H15ClN2/c13-12-6-1-9(7-14-12)8-15-10-2-3-11(15)5-4-10/h1,6-7,10-11H,2-5,8H2
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n/an/an/an/a 79n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100715
PNG
(2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13BrN2/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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n/an/an/an/a 94n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100707
PNG
((R)-2-(6-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...)
Show SMILES Fc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13FN2/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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n/an/an/an/a 254n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes


Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50061562
PNG
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1
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n/an/an/an/a 370n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
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
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 590n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484595
PNG
(CHEMBL1939280)
Show SMILES C1C[C@@H]2CN(C[C@@H]2N1)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1
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n/an/an/an/a 617n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484595
PNG
(CHEMBL1939280)
Show SMILES C1C[C@@H]2CN(C[C@@H]2N1)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1
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n/an/an/an/a 620n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50061562
PNG
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50061561
PNG
(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
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n/an/an/an/a 730n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Functional potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
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
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
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475816
PNG
(CHEMBL205644)
Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O
Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-4-beta-2 nACHR by rubidium efflux assay


J Med Chem 49: 2673-6 (2006)


Article DOI: 10.1021/jm051196m
BindingDB Entry DOI: 10.7270/Q2GX4F96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484596
PNG
(CHEMBL1939281)
Show SMILES C1C[C@H]2CN(C[C@H]2N1)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484596
PNG
(CHEMBL1939281)
Show SMILES C1C[C@H]2CN(C[C@H]2N1)c1cccnc1
Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m0/s1
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n/an/an/an/a 3.02E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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n/an/an/an/a 3.63E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat alpha2-beta2 neuronal nAChR expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
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
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 4.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50100713
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ylamin...)
Show SMILES Nc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H15N3/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,(H2,12,13)
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n/an/an/an/a 7.60E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50473791
PNG
(CHEMBL319190)
Show SMILES C(CN1C2CCC1CC2)Cc1cccnc1
Show InChI InChI=1S/C14H20N2/c1-3-12(11-15-9-1)4-2-10-16-13-5-6-14(16)8-7-13/h1,3,9,11,13-14H,2,4-8,10H2
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n/an/an/an/a 8.14E+3n/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 45: 3041-7 (2002)


Article DOI: 10.1021/jm0103561
BindingDB Entry DOI: 10.7270/Q2GQ71H0
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
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+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-4-beta-2 nACHR by rubidium efflux assay


J Med Chem 49: 2673-6 (2006)


Article DOI: 10.1021/jm051196m
BindingDB Entry DOI: 10.7270/Q2GX4F96
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2


J Med Chem 40: 4169-94 (1998)


Article DOI: 10.1021/jm970377o
BindingDB Entry DOI: 10.7270/Q2QF8TH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484615
PNG
(CHEMBL1939297)
Show SMILES CC(C)c1cccc(NC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C20H25N5O/c1-13(2)14-4-3-5-17(6-14)23-20(26)18-9-22-10-19(24-18)25-11-15-7-21-8-16(15)12-25/h3-6,9-10,13,15-16,21H,7-8,11-12H2,1-2H3,(H,23,26)/t15-,16+
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n/an/an/an/a 1.15E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484615
PNG
(CHEMBL1939297)
Show SMILES CC(C)c1cccc(NC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C20H25N5O/c1-13(2)14-4-3-5-17(6-14)23-20(26)18-9-22-10-19(24-18)25-11-15-7-21-8-16(15)12-25/h3-6,9-10,13,15-16,21H,7-8,11-12H2,1-2H3,(H,23,26)/t15-,16+
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n/an/an/an/a 1.15E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484603
PNG
(CHEMBL1939282)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cnccn1
Show InChI InChI=1S/C10H14N4/c1-2-13-10(5-11-1)14-6-8-3-12-4-9(8)7-14/h1-2,5,8-9,12H,3-4,6-7H2/t8-,9+
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n/an/an/an/a 1.47E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484603
PNG
(CHEMBL1939282)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cnccn1
Show InChI InChI=1S/C10H14N4/c1-2-13-10(5-11-1)14-6-8-3-12-4-9(8)7-14/h1-2,5,8-9,12H,3-4,6-7H2/t8-,9+
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n/an/an/an/a 1.48E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 2.40E+4n/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method


J Nat Prod 81: 1029-1035 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00062
BindingDB Entry DOI: 10.7270/Q2R49TF0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484617
PNG
(CHEMBL1939292)
Show SMILES CN(Cc1ccccc1)C(=O)c1cncc(n1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C19H23N5O/c1-23(11-14-5-3-2-4-6-14)19(25)17-9-21-10-18(22-17)24-12-15-7-20-8-16(15)13-24/h2-6,9-10,15-16,20H,7-8,11-13H2,1H3/t15-,16+
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n/an/an/an/a>3.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484605
PNG
(CHEMBL1939299)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C19H23N5O/c1-12-3-13(2)5-16(4-12)22-19(25)17-8-21-9-18(23-17)24-10-14-6-20-7-15(14)11-24/h3-5,8-9,14-15,20H,6-7,10-11H2,1-2H3,(H,22,25)/t14-,15+
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n/an/an/an/a>3.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484592
PNG
(CHEMBL1939309)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C21H26N4O2/c1-14(2)27-20-5-3-4-18(7-20)24-21(26)15-6-19(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h3-8,11,14,16-17,22H,9-10,12-13H2,1-2H3,(H,24,26)/t16-,17+
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n/an/an/an/a>3.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 8.70E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes


Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484589
PNG
(CHEMBL1939305)
Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484616
PNG
(CHEMBL1939300)
Show SMILES Fc1cc(F)cc(NC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C17H17F2N5O/c18-12-1-13(19)3-14(2-12)22-17(25)15-6-21-7-16(23-15)24-8-10-4-20-5-11(10)9-24/h1-3,6-7,10-11,20H,4-5,8-9H2,(H,22,25)/t10-,11+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484606
PNG
(CHEMBL1939294)
Show SMILES Clc1ccc(CNC(=O)c2cncc(n2)N2C[C@@H]3CNC[C@@H]3C2)cc1Cl
Show InChI InChI=1S/C18H19Cl2N5O/c19-14-2-1-11(3-15(14)20)4-23-18(26)16-7-22-8-17(24-16)25-9-12-5-21-6-13(12)10-25/h1-3,7-8,12-13,21H,4-6,9-10H2,(H,23,26)/t12-,13+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484608
PNG
(CHEMBL1939291)
Show SMILES O=C(NCCc1ccccc1)c1cncc(n1)N1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C19H23N5O/c25-19(22-7-6-14-4-2-1-3-5-14)17-10-21-11-18(23-17)24-12-15-8-20-9-16(15)13-24/h1-5,10-11,15-16,20H,6-9,12-13H2,(H,22,25)/t15-,16+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484593
PNG
(CHEMBL1939311)
Show SMILES Cc1cccc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)c1
Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50484622
PNG
(CHEMBL1939313)
Show SMILES COc1cc(NC(=O)c2cncc(c2)N2C[C@@H]3CNC[C@@H]3C2)cc(OC)c1
Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 54: 7678-92 (2011)


Article DOI: 10.1021/jm201045m
BindingDB Entry DOI: 10.7270/Q20Z7646
More data for this
Ligand-Target Pair
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