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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'Cholinergic, Nicotinic Alpha4Beta2' AND taxid = 10116   
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
Cholinergic, Nicotinic Alpha4Beta2


(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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PubMed
0.00800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13IN2/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



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50062639
PNG
(5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)
Show SMILES Clc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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0.0460n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50066789
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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0.0610n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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0.0700n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50171347
PNG
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)
Show SMILES C(Oc1cccnc1)C1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2
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0.140n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13IN2/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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0.150n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50107863
PNG
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)
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
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0.180n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(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
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0.200n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86544
PNG
(CAS_192231-16-6 | CHEMBL111580 | NSC_6442277 | SIB...)
Show SMILES CN1CCCC1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3
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0.5n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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0.840n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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0.840n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50079456
PNG
(2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane | CHEMBL...)
Show SMILES C1CN2CCC1CC2c1cccnc1
Show InChI InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
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1n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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



Abbott Laboratories

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(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
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1.30n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(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
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1.5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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2.20n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
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Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM82546
PNG
(CAS_14721-69-8 | MCC | N-methylcarbamylcholine | N...)
Show SMILES CNC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1
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2.51n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50171341
PNG
(3-Methyl-5-(1-methyl-pyrrolidin-2-yl)-isoxazole | ...)
Show SMILES CN1CCCC1c1cc(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
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4.69n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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8.30n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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10n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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12.1n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




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Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50275262
PNG
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)
Show SMILES CC(CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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17n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




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Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
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
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24.6n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM85224
PNG
(CAS_1918-18-9 | MCC | SWEP)
Show SMILES COC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
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28n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Citation and Details
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Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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33n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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44n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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66.4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50061567
PNG
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)
Show SMILES C[N+]1(C)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
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82n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




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Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86543
PNG
(CAS_156223-05-1 | GTS-21 | NSC_122225)
Show SMILES COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3
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278n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86309
PNG
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)
Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3
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585n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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590n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50143313
PNG
((12S,13aS)-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-/m0/s1
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600n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86198
PNG
(CAS_134505 | L-homocysteine thiolactone | NSC_1345...)
Show SMILES N[C@H]1CCSC1=O
Show InChI InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50061565
PNG
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)
Show SMILES CNC1(C)C2CCC(C2)C1(C)C
Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50026220
PNG
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Show SMILES C[N+](C)(C)CCO
Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha4Beta2


(RAT)
BDBM86309
PNG
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)
Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
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