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BDBM50212288 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine::(E)-imidacloprid::CHEMBL406819

SMILES: [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1

InChI Key: InChIKey=YWTYJOPNNQFBPC-UHFFFAOYSA-N

Data: 9 KI  12 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50212288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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PubMed
3n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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4.60n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor


J Agric Food Chem 58: 11832-6 (2010)


Article DOI: 10.1021/jf102819n
BindingDB Entry DOI: 10.7270/Q2M61P38
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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19n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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50n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity for nAChR with [3H]-nicotine in rat alpha4 beta2 membranes


J Med Chem 43: 5003-9 (2001)


Article DOI: 10.1021/jm000240p
BindingDB Entry DOI: 10.7270/Q2NC60FD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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720n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Potency to displace [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells


J Med Chem 45: 2832-40 (2002)


Article DOI: 10.1021/jm010508s
BindingDB Entry DOI: 10.7270/Q2KD1X85
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Gallus gallus)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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970n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand bindi...


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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970n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to freshwater snail Lymnaea stagnalis AChBP assessed as [3H]EPI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor DM1


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation counting


J Agric Food Chem 55: 2276-81 (2007)


Article DOI: 10.1021/jf0631934
BindingDB Entry DOI: 10.7270/Q2WQ06PC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor DM1


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting


J Agric Food Chem 55: 2276-81 (2007)


Article DOI: 10.1021/jf0631934
BindingDB Entry DOI: 10.7270/Q2WQ06PC
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol


J Agric Food Chem 59: 4860-7 (2011)


Article DOI: 10.1021/jf200485k
BindingDB Entry DOI: 10.7270/Q2QF8WR8
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 2.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]IMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membrane after 90 min by filter binding assay


J Neurochem 75: 1294-303 (2000)


Article DOI: 10.1046/j.1471-4159.2000.751294.x
BindingDB Entry DOI: 10.7270/Q2H134XH
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 2.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila melanogaster head membrane after 90 min by filter binding assay


J Neurochem 75: 1294-303 (2000)


Article DOI: 10.1046/j.1471-4159.2000.751294.x
BindingDB Entry DOI: 10.7270/Q2H134XH
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 2.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]IMI from nicotinic acetylcholine receptor in Aphis craccivora (cowpea aphid) whole body membrane after 90 min by filter binding a...


J Neurochem 75: 1294-303 (2000)


Article DOI: 10.1046/j.1471-4159.2000.751294.x
BindingDB Entry DOI: 10.7270/Q2H134XH
More data for this
Ligand-Target Pair
Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]nicotine binding to alpha3 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells co-expressing beta2beta4alpha5 Ni...


J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Agaricus bisporus (mushroom) tyrosinase


J Agric Food Chem 59: 4860-7 (2011)


Article DOI: 10.1021/jf200485k
BindingDB Entry DOI: 10.7270/Q2QF8WR8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-BGT binding to alpha7 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells


J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Mus musculus)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]nicotine binding to alpha4 nicotinic acetylcholine receptor in Mus musculus (mouse) M10 cells co-expressing beta2 nicotinic acetylc...


J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 4.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]IMI binding to Drosophila melanogaster neuronal acetylcholine receptor


J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 20n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Gallus gallus)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from chick alpha4beta2 nAChR


J Med Chem 51: 4213-8 (2008)


Article DOI: 10.1021/jm800191a
BindingDB Entry DOI: 10.7270/Q2D21XDZ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...


J Agric Food Chem 48: 6016-24 (2000)


Article DOI: 10.1021/jf000873c
BindingDB Entry DOI: 10.7270/Q27H1NGG
More data for this
Ligand-Target Pair