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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'bartolini' and Initial = 'a'   
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))
BDBM50473413
PNG
(CHEMBL126487)
Show SMILES [Br-].C[N+]1(C)CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C12H20N3/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9,13H2,1-2H3/q+1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473417
PNG
(CHEMBL129827)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(Cl)nn1
Show InChI InChI=1S/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1
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4.5n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473417
PNG
(CHEMBL129827)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(Cl)nn1
Show InChI InChI=1S/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1
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4.5n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473414
PNG
(CHEMBL129790)
Show SMILES [I-].CC(=O)Oc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C14H21N2O2/c1-12(17)18-14-6-4-5-13(11-14)15-7-9-16(2,3)10-8-15/h4-6,11H,7-10H2,1-3H3/q+1
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6.80n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473414
PNG
(CHEMBL129790)
Show SMILES [I-].CC(=O)Oc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C14H21N2O2/c1-12(17)18-14-6-4-5-13(11-14)15-7-9-16(2,3)10-8-15/h4-6,11H,7-10H2,1-3H3/q+1
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6.80n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473431
PNG
(CHEMBL128610)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(O)c1
Show InChI InChI=1S/C12H18N2O/c1-14(2)8-6-13(7-9-14)11-4-3-5-12(15)10-11/h3-5,10H,6-9H2,1-2H3/p+1
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8n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473437
PNG
(CHEMBL126197)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C12H18FN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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22n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473450
PNG
(CHEMBL125353)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H18N3O2/c1-15(2)8-6-13(7-9-15)11-4-3-5-12(10-11)14(16)17/h3-5,10H,6-9H2,1-2H3/q+1
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22n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473437
PNG
(CHEMBL126197)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C12H18FN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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22n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473447
PNG
(CHEMBL131467)
Show SMILES [I-].COc1ccc(cc1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C13H21N2O/c1-15(2)10-8-14(9-11-15)12-4-6-13(16-3)7-5-12/h4-7H,8-11H2,1-3H3/q+1
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40n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
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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42n/an/an/an/an/an/an/an/a



Universit£ Degli Studi di Milano

Curated by ChEMBL


Assay Description
Cholinergic interactions was measured as displaced [3H]cystine from Nicotinic acetylcholine receptor alpha4-beta2 in rat brain membranes


J Med Chem 41: 674-81 (1998)


Article DOI: 10.1021/jm970427p
BindingDB Entry DOI: 10.7270/Q2CV4K7B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50053616
PNG
(4-(3-Chloro-phenyl)-1,1-dimethyl-piperazin-1-ium |...)
Show SMILES C[N+]1(C)CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H18ClN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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80n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473439
PNG
(CHEMBL126517)
Show SMILES CN1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10/h2-4,9H,5-8H2,1H3
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90n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473451
PNG
(CHEMBL125357)
Show SMILES OC(=O)C(O)=O.C1CN(CCN1)c1cccnc1
Show InChI InChI=1S/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
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90n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473430
PNG
(CHEMBL126348)
Show SMILES CN1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C10H15N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h2-5H,6-9H2,1H3
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170n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50097722
PNG
(CHEMBL129399)
Show SMILES CN1CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36FN5O5S/c1-3-4-5-6-7-8-13-33(2)25(36)18-35-17-23(14-22-15-31-28(40)34(16-22)19-26(37)38)27(39)32-29(35)41-20-21-9-11-24(30)12-10-21/h9-12,15-17H,3-8,13-14,18-20H2,1-2H3,(H,37,38)
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180n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (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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250n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473469
PNG
(CHEMBL126452)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C13H18N3/c1-16(2)8-6-15(7-9-16)13-5-3-4-12(10-13)11-14/h3-5,10H,6-9H2,1-2H3/q+1
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300n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473434
PNG
(CHEMBL337220)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccnn1
Show InChI InChI=1S/C9H14N4/c1-12-5-7-13(8-6-12)9-3-2-4-10-11-9/h2-4H,5-8H2,1H3
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386n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473470
PNG
(CHEMBL128847)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C12H18FN2/c1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3/q+1
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420n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473416
PNG
(CHEMBL126030)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccccn1
Show InChI InChI=1S/C11H18N3/c1-14(2)9-7-13(8-10-14)11-5-3-4-6-12-11/h3-6H,7-10H2,1-2H3/q+1
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500n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473412
PNG
(CHEMBL125636)
Show SMILES [I-].C[N+]1(C)CCC(CC1)c1ccccc1
Show InChI InChI=1S/C13H20N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/q+1
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600n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473412
PNG
(CHEMBL125636)
Show SMILES [I-].C[N+]1(C)CCC(CC1)c1ccccc1
Show InChI InChI=1S/C13H20N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/q+1
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603n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473459
PNG
(CHEMBL129266)
Show SMILES OC(=O)C(O)=O.C1CN(CCN1)c1cccnn1
Show InChI InChI=1S/C8H12N4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
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644n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473458
PNG
(CHEMBL129232)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H19N2O2/c1-15(2)7-5-14(6-8-15)11-3-4-12-13(9-11)17-10-16-12/h3-4,9H,5-8,10H2,1-2H3/q+1
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672n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473453
PNG
(CHEMBL129772)
Show SMILES [I-].C[N+]1(C)CCC(=CC1)c1ccccc1 |c:5|
Show InChI InChI=1S/C13H18N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3/q+1
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750n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473453
PNG
(CHEMBL129772)
Show SMILES [I-].C[N+]1(C)CCC(=CC1)c1ccccc1 |c:5|
Show InChI InChI=1S/C13H18N/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3/q+1
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759n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473418
PNG
(CHEMBL341158)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccc(OC(C)=O)c1
Show InChI InChI=1S/C13H18N2O2/c1-11(16)17-13-5-3-4-12(10-13)15-8-6-14(2)7-9-15/h3-5,10H,6-9H2,1-2H3
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794n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473418
PNG
(CHEMBL341158)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccc(OC(C)=O)c1
Show InChI InChI=1S/C13H18N2O2/c1-11(16)17-13-5-3-4-12(10-13)15-8-6-14(2)7-9-15/h3-5,10H,6-9H2,1-2H3
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800n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473423
PNG
(CHEMBL125904)
Show SMILES [I-].CC(=O)Nc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C14H21N3O/c1-12(18)15-13-5-4-6-14(11-13)16-7-9-17(2,3)10-8-16/h4-6,11H,7-10H2,1-3H3/p+1
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850n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473468
PNG
(CHEMBL128682)
Show SMILES [I-].C[N+]1(C)CCN(CC1)C1=CC(=O)CC1 |t:9|
Show InChI InChI=1S/C11H19N2O/c1-13(2)7-5-12(6-8-13)10-3-4-11(14)9-10/h9H,3-8H2,1-2H3/q+1
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851n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473468
PNG
(CHEMBL128682)
Show SMILES [I-].C[N+]1(C)CCN(CC1)C1=CC(=O)CC1 |t:9|
Show InChI InChI=1S/C11H19N2O/c1-13(2)7-5-12(6-8-13)10-3-4-11(14)9-10/h9H,3-8H2,1-2H3/q+1
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853n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473445
PNG
(CHEMBL129291)
Show SMILES [I-].COc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C13H21N2O/c1-15(2)9-7-14(8-10-15)12-5-4-6-13(11-12)16-3/h4-6,11H,7-10H2,1-3H3/q+1
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900n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473425
PNG
(CHEMBL127023)
Show SMILES Clc1ccc(nn1)N1CCNCC1
Show InChI InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
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1.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473425
PNG
(CHEMBL127023)
Show SMILES Clc1ccc(nn1)N1CCNCC1
Show InChI InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
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1.03E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473463
PNG
(1'',2'',3'',6''-Tetrahydro-[3,4'']Bipyridinyl HCl ...)
Show SMILES Cl.C1CC(=CCN1)c1cccnc1 |c:2|
Show InChI InChI=1S/C10H12N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-3,5,8,11H,4,6-7H2
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50026638
PNG
(1'-Methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl...)
Show SMILES CN1CCC(=CC1)c1cccnc1 |c:4|
Show InChI InChI=1S/C11H14N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-4,6,9H,5,7-8H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50053627
PNG
(1,1-Dimethyl-4-(3-trifluoromethyl-phenyl)-piperazi...)
Show SMILES C[N+]1(C)CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H18F3N2/c1-18(2)8-6-17(7-9-18)12-5-3-4-11(10-12)13(14,15)16/h3-5,10H,6-9H2,1-2H3/q+1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473433
PNG
(CHEMBL542222)
Show SMILES Cl.CN1CCC(CC1)c1cccnc1
Show InChI InChI=1S/C11H16N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-3,6,9-10H,4-5,7-8H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50473446
PNG
(CHEMBL126498)
Show SMILES [I-].C[N+]1(C)CCN(CC1)C1=CC(=O)CCC1 |t:9|
Show InChI InChI=1S/C12H21N2O/c1-14(2)8-6-13(7-9-14)11-4-3-5-12(15)10-11/h10H,3-9H2,1-2H3/q+1
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
compound was evaluated for pKi


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473446
PNG
(CHEMBL126498)
Show SMILES [I-].C[N+]1(C)CCN(CC1)C1=CC(=O)CCC1 |t:9|
Show InChI InChI=1S/C12H21N2O/c1-14(2)8-6-13(7-9-14)11-4-3-5-12(15)10-11/h10H,3-9H2,1-2H3/q+1
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473438
PNG
(CHEMBL126607)
Show SMILES [I-].Cc1cccc(c1)N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C13H21N2/c1-12-5-4-6-13(11-12)14-7-9-15(2,3)10-8-14/h4-6,11H,7-10H2,1-3H3/q+1
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473435
PNG
(CHEMBL126427)
Show SMILES CN1CCN(CC1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H15N3O2/c1-12-5-7-13(8-6-12)10-3-2-4-11(9-10)14(15)16/h2-4,9H,5-8H2,1H3
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1.93E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473415
PNG
(CHEMBL128196)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C12H18N2O/c1-14(2)9-7-13(8-10-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3/p+1
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2.39E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473461
PNG
(CHEMBL128246)
Show SMILES [I-].C[N+]1(C)CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H18ClN2/c1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3/q+1
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50455433
PNG
(CHEMBL129801)
Show SMILES Clc1ccc(nn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11|
Show InChI InChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ Degli Studi di Milano

Curated by ChEMBL


Assay Description
Cholinergic interactions was measured as displaced [3H]cystine from Nicotinic acetylcholine receptor alpha4-beta2 in rat brain membranes


J Med Chem 41: 674-81 (1998)


Article DOI: 10.1021/jm970427p
BindingDB Entry DOI: 10.7270/Q2CV4K7B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473462
PNG
(CHEMBL125804)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C11H15FN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473419
PNG
(CHEMBL129645)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473420
PNG
(CHEMBL129639)
Show SMILES OC(=O)C(O)=O.CN1CCN(CC1)C1=CC(=O)CCC1 |t:13|
Show InChI InChI=1S/C11H18N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h9H,2-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50473421
PNG
(CHEMBL126598)
Show SMILES [I-].Cc1ccccc1N1CC[N+](C)(C)CC1
Show InChI InChI=1S/C13H21N2/c1-12-6-4-5-7-13(12)14-8-10-15(2,3)11-9-14/h4-7H,8-11H2,1-3H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand


J Med Chem 44: 3946-55 (2001)


Article DOI: 10.1021/jm010901y
BindingDB Entry DOI: 10.7270/Q2B56NH9
More data for this
Ligand-Target Pair
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