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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'mukhin' and Initial = 'ag'   
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))
BDBM50455135
PNG
(CHEMBL123225)
Show SMILES Ic1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C9H11IN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
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>0.00100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474596
PNG
(CHEMBL79332)
Show SMILES Fc1cc(\C=C\c2cc(OC[C@@H]3CCN3)cnc2Cl)ccn1
Show InChI InChI=1S/C16H15ClFN3O/c17-16-12(2-1-11-3-5-20-15(18)7-11)8-14(9-21-16)22-10-13-4-6-19-13/h1-3,5,7-9,13,19H,4,6,10H2/b2-1+/t13-/m0/s1
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0.00310n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474584
PNG
(CHEMBL79387)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccnc(Br)c1
Show InChI InChI=1S/C14H13BrClN3O/c15-13-5-9(1-3-18-13)12-6-11(7-19-14(12)16)20-8-10-2-4-17-10/h1,3,5-7,10,17H,2,4,8H2/t10-/m0/s1
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0.00330n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474594
PNG
(CHEMBL86050)
Show SMILES Fc1ncc(cc1Br)-c1cc(OC[C@@H]2CCN2)cnc1Cl
Show InChI InChI=1S/C14H12BrClFN3O/c15-12-3-8(5-20-14(12)17)11-4-10(6-19-13(11)16)21-7-9-1-2-18-9/h3-6,9,18H,1-2,7H2/t9-/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474583
PNG
(CHEMBL86051)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccc(Br)nc1
Show InChI InChI=1S/C14H13BrClN3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1
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0.00430n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474587
PNG
(CHEMBL314718)
Show SMILES Clc1ccc(cn1)-c1cc(OC[C@@H]2CCN2)cnc1Cl
Show InChI InChI=1S/C14H13Cl2N3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1
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0.00450n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474595
PNG
(CHEMBL79594)
Show SMILES Fc1cc(ccn1)-c1cc(OC[C@@H]2CCN2)cnc1Cl |r|
Show InChI InChI=1S/C14H13ClFN3O/c15-14-12(9-1-3-18-13(16)5-9)6-11(7-19-14)20-8-10-2-4-17-10/h1,3,5-7,10,17H,2,4,8H2/t10-/m0/s1
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0.00480n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474582
PNG
(CHEMBL83444)
Show SMILES Fc1ccc(cn1)-c1cc(OC[C@@H]2CCN2)cnc1Cl
Show InChI InChI=1S/C14H13ClFN3O/c15-14-12(9-1-2-13(16)18-6-9)5-11(7-19-14)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1
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0.00490n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474593
PNG
(CHEMBL313877)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1\C=C\c1ccnc(Br)c1
Show InChI InChI=1S/C16H15BrClN3O/c17-15-7-11(3-5-20-15)1-2-12-8-14(9-21-16(12)18)22-10-13-4-6-19-13/h1-3,5,7-9,13,19H,4,6,10H2/b2-1+/t13-/m0/s1
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0.00520n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474591
PNG
(CHEMBL79515)
Show SMILES Clc1ncc(OC[C@@H]2CCCN2)cc1\C=C\c1ccnc(Br)c1
Show InChI InChI=1S/C17H17BrClN3O/c18-16-8-12(5-7-21-16)3-4-13-9-15(10-22-17(13)19)23-11-14-2-1-6-20-14/h3-5,7-10,14,20H,1-2,6,11H2/b4-3+/t14-/m0/s1
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0.00560n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474598
PNG
(CHEMBL79702)
Show SMILES Brc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
Show InChI InChI=1S/C14H14BrN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1
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0.00660n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474592
PNG
(CHEMBL83738)
Show SMILES Fc1ncc(\C=C\c2cc(OC[C@@H]3CCN3)cnc2Cl)cc1Br
Show InChI InChI=1S/C16H14BrClFN3O/c17-14-5-10(7-22-16(14)19)1-2-11-6-13(8-21-15(11)18)23-9-12-3-4-20-12/h1-2,5-8,12,20H,3-4,9H2/b2-1+/t12-/m0/s1
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0.00770n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.00800n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474585
PNG
(CHEMBL312132)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
Show InChI InChI=1S/C14H14ClN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1
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0.00810n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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 |THB:4:7:13:11.10|
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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0.00840n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50450722
PNG
(CHEMBL94843)
Show SMILES Clc1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C9H11ClN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
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0.00840n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474590
PNG
(CHEMBL309292)
Show SMILES Fc1ccnc[n+]1-c1cc(OC[C@@H]2CCN2)cnc1Cl
Show InChI InChI=1S/C13H13ClFN4O/c14-13-11(19-8-16-3-2-12(19)15)5-10(6-18-13)20-7-9-1-4-17-9/h2-3,5-6,8-9,17H,1,4,7H2/q+1/t9-/m0/s1
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0.00880n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
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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0.00900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474586
PNG
(CHEMBL80040)
Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1\C=C\c1ccncc1
Show InChI InChI=1S/C16H16ClN3O/c17-16-13(2-1-12-3-6-18-7-4-12)9-15(10-20-16)21-11-14-5-8-19-14/h1-4,6-7,9-10,14,19H,5,8,11H2/b2-1+/t14-/m0/s1
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0.00900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114773
PNG
(5-(Azetidin-2-ylmethoxy)-2-chloro-3-(2-pyridin-4-y...)
Show SMILES Clc1ncc(OCC2CCN2)cc1\C=C\c1ccncc1
Show InChI InChI=1S/C16H16ClN3O/c17-16-13(2-1-12-3-6-18-7-4-12)9-15(10-20-16)21-11-14-5-8-19-14/h1-4,6-7,9-10,14,19H,5,8,11H2/b2-1+
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0.00900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-imidacloprid in Drosophila


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(RAT)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.00900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474588
PNG
(CHEMBL310197)
Show SMILES Fc1cc(\C=C\c2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1
Show InChI InChI=1S/C17H17ClFN3O/c18-17-13(4-3-12-5-7-21-16(19)8-12)9-15(10-22-17)23-11-14-2-1-6-20-14/h3-5,7-10,14,20H,1-2,6,11H2/b4-3+/t14-/m0/s1
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0.00940n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
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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0.0100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
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)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (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)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(RAT)
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
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)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (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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0.0110n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114771
PNG
(2-Chloro-3-(2-pyridin-4-yl-ethyl)-5-(pyrrolidin-2-...)
Show SMILES Clc1ncc(OCC2CCCN2)cc1CCc1ccncc1
Show InChI InChI=1S/C17H20ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h5-6,8-11,15,20H,1-4,7,12H2
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0.0110n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474597
PNG
(CHEMBL83608)
Show SMILES Ic1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
Show InChI InChI=1S/C14H14IN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114774
PNG
(2-Chloro-3-(2-pyridin-4-yl-vinyl)-5-(pyrrolidin-2-...)
Show SMILES Clc1ncc(OCC2CCCN2)cc1\C=C\c1ccncc1
Show InChI InChI=1S/C17H18ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h3-6,8-11,15,20H,1-2,7,12H2/b4-3+
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0.0150n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-imidacloprid in Drosophila


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
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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0.0170n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474581
PNG
(CHEMBL83986)
Show SMILES Fc1ccc(cn1)-c1cc(OC[C@@H]2CCCN2)cnc1Cl
Show InChI InChI=1S/C15H15ClFN3O/c16-15-13(10-3-4-14(17)19-7-10)6-12(8-20-15)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50100712
PNG
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)
Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
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)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474580
PNG
(CHEMBL84154)
Show SMILES Clc1ncc(OC[C@@H]2CCCN2)cc1-c1ccc(Br)nc1
Show InChI InChI=1S/C15H15BrClN3O/c16-14-4-3-10(7-19-14)13-6-12(8-20-15(13)17)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474599
PNG
(CHEMBL79737)
Show SMILES Clc1ncc(OC[C@@H]2CCCN2)cc1-c1cccnc1
Show InChI InChI=1S/C15H16ClN3O/c16-15-14(11-3-1-5-17-8-11)7-13(9-19-15)20-10-12-4-2-6-18-12/h1,3,5,7-9,12,18H,2,4,6,10H2/t12-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50450731
PNG
(CHEMBL96733)
Show SMILES Brc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11BrN2O/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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0.0210n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114768
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...)
Show SMILES CN1CCCC1COc1cnc(Cl)c(CCc2ccncc2)c1
Show InChI InChI=1S/C18H22ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h6-9,11-12,16H,2-5,10,13H2,1H3
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0.0230n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50450719
PNG
(CHEMBL318121)
Show SMILES Fc1ccc(OC[C@@H]2CCN2)cn1
Show InChI InChI=1S/C9H11FN2O/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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0.0250n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50450743
PNG
(CHEMBL96527)
Show SMILES Fc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11FN2O/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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0.0250n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114767
PNG
(2-Chloro-3-(2-pyridin-3-yl-vinyl)-5-(pyrrolidin-2-...)
Show SMILES Clc1ncc(OCC2CCCN2)cc1\C=C\c1cccnc1
Show InChI InChI=1S/C17H18ClN3O/c18-17-14(6-5-13-3-1-7-19-10-13)9-16(11-21-17)22-12-15-4-2-8-20-15/h1,3,5-7,9-11,15,20H,2,4,8,12H2/b6-5+
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0.0280n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-imidacloprid in Drosophila


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114769
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...)
Show SMILES CN1CCCC1COc1cnc(Cl)c(\C=C\c2ccncc2)c1
Show InChI InChI=1S/C18H20ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h4-9,11-12,16H,2-3,10,13H2,1H3/b5-4+
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0.0280n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50450723
PNG
(CHEMBL95113)
Show SMILES Clc1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11ClN2O/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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0.0300n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (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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0.0340n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50066788
PNG
((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...)
Show SMILES Fc1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
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0.0460n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain


J Med Chem 41: 3690-8 (1998)


Article DOI: 10.1021/jm980170a
BindingDB Entry DOI: 10.7270/Q2HM59ZN
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50066788
PNG
((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...)
Show SMILES Fc1ncccc1OC[C@@H]1CCN1
Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1
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0.0610n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50474589
PNG
(CHEMBL79854)
Show SMILES Fc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
Show InChI InChI=1S/C14H14FN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature


J Med Chem 47: 2453-65 (2004)


Article DOI: 10.1021/jm030432v
BindingDB Entry DOI: 10.7270/Q21C20MJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114775
PNG
(2-Chloro-5-(1-methyl-azetidin-2-ylmethoxy)-3-(2-py...)
Show SMILES CN1CCC1COc1cnc(Cl)c(\C=C\c2ccncc2)c1
Show InChI InChI=1S/C17H18ClN3O/c1-21-9-6-15(21)12-22-16-10-14(17(18)20-11-16)3-2-13-4-7-19-8-5-13/h2-5,7-8,10-11,15H,6,9,12H2,1H3/b3-2+
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0.0720n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114778
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...)
Show SMILES CN1CCCC1COc1cnc(Cl)c(\C=C\c2cccnc2)c1
Show InChI InChI=1S/C18H20ClN3O/c1-22-9-3-5-16(22)13-23-17-10-15(18(19)21-12-17)7-6-14-4-2-8-20-11-14/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3/b7-6+
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0.0880n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae


J Med Chem 45: 2841-9 (2002)


BindingDB Entry DOI: 10.7270/Q2FN15JT
More data for this
Ligand-Target Pair
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