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PubMed code 12061886

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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))
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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PubMed
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
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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PubMed
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/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))
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))
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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PubMed
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))
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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PubMed
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))
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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PubMed
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))
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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PubMed
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50114776
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...)
Show SMILES CN1CCCC1COc1cnc(Cl)c(\C=C\c2ccccn2)c1
Show InChI InChI=1S/C18H20ClN3O/c1-22-10-4-6-16(22)13-23-17-11-14(18(19)21-12-17)7-8-15-5-2-3-9-20-15/h2-3,5,7-9,11-12,16H,4,6,10,13H2,1H3/b8-7+
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PubMed
0.265n/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))
BDBM50114777
PNG
(2-Chloro-3-(2-pyridin-2-yl-vinyl)-5-(pyrrolidin-2-...)
Show SMILES Clc1ncc(OCC2CCCN2)cc1\C=C\c1ccccn1
Show InChI InChI=1S/C17H18ClN3O/c18-17-13(6-7-14-4-1-2-8-19-14)10-16(11-21-17)22-12-15-5-3-9-20-15/h1-2,4,6-8,10-11,15,20H,3,5,9,12H2/b7-6+
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PubMed
0.331n/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
* indicates data uncertainty>20%