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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'binda' and Initial = 'm'   
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


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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/t10-/m0/s1
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4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM86312
PNG
(CAS_84607 | DMCC | NSC_84607)
Show SMILES CN(C)C(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C8H19N2O2/c1-9(2)8(11)12-7-6-10(3,4)5/h6-7H2,1-5H3/q+1
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20n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 23: 6481-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.023
BindingDB Entry DOI: 10.7270/Q22V2HKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
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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23n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 23: 6481-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.023
BindingDB Entry DOI: 10.7270/Q22V2HKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114008
PNG
(CHEMBL3603931)
Show SMILES CN1CC[C@H]1COc1cccc(O)c1 |r|
Show InChI InChI=1/C11H15NO2/c1-12-6-5-9(12)8-14-11-4-2-3-10(13)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/s2
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29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50113482
PNG
(CHEMBL3603941)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccc(O)c1 |r|
Show InChI InChI=1/C13H19NO2/c1-10(13-7-4-8-14(13)2)16-12-6-3-5-11(15)9-12/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3/t10-,13+/s2
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57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114006
PNG
(CHEMBL3603929)
Show SMILES CN1CCC[C@H]1COc1cccc(O)c1 |r|
Show InChI InChI=1/C12H17NO2/c1-13-7-3-4-10(13)9-15-12-6-2-5-11(14)8-12/h2,5-6,8,10,14H,3-4,7,9H2,1H3/t10-/s2
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119n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50259714
PNG
(CHEMBL4101001)
Show InChI InChI=1/C13H15NO/c1-14-8-4-6-11(14)13-9-10-5-2-3-7-12(10)15-13/h2-3,5,7,9,11H,4,6,8H2,1H3/t11-/s2
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114005
PNG
(CHEMBL3603930)
Show SMILES Oc1cccc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1/C11H15NO2/c13-10-4-1-5-11(7-10)14-8-9-3-2-6-12-9/h1,4-5,7,9,12-13H,2-3,6,8H2/t9-/s2
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212n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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/t10-/m0/s1
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234n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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/t10-/m0/s1
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234n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50113482
PNG
(CHEMBL3603941)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccc(O)c1 |r|
Show InChI InChI=1/C13H19NO2/c1-10(13-7-4-8-14(13)2)16-12-6-3-5-11(15)9-12/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3/t10-,13+/s2
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257n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194315
PNG
((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1
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260n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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/t10-/m0/s1
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261n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50114015
PNG
(CHEMBL3603939)
Show SMILES COc1ccc(O)cc1OC[C@@H]1CCCN1C |r|
Show InChI InChI=1/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/s2
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271n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50357065
PNG
(CHEMBL1917232)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114000
PNG
(CHEMBL3603933)
Show SMILES CN1CCC[C@H]1COc1cncc(O)c1 |r|
Show InChI InChI=1/C11H16N2O2/c1-13-4-2-3-9(13)8-15-11-5-10(14)6-12-7-11/h5-7,9,14H,2-4,8H2,1H3/t9-/s2
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321n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114004
PNG
(CHEMBL3603947)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1 |r|
Show InChI InChI=1/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12+/s2
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388n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357064
PNG
(CHEMBL1917231)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1
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427n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256279
PNG
((2S,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13+/m0/s1
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470n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114019
PNG
(CHEMBL3603942)
Show SMILES [H][C@]1(CCCN1C)[C@H](C)Oc1cccc(O)c1 |r|
Show InChI InChI=1/C13H19NO2/c1-10(13-7-4-8-14(13)2)16-12-6-3-5-11(15)9-12/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3/t10-,13-/s2
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743n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
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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750n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 23: 6481-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.023
BindingDB Entry DOI: 10.7270/Q22V2HKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114015
PNG
(CHEMBL3603939)
Show SMILES COc1ccc(O)cc1OC[C@@H]1CCCN1C |r|
Show InChI InChI=1/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/s2
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1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114007
PNG
(CHEMBL3603932)
Show SMILES Oc1cccc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1/C10H13NO2/c12-9-2-1-3-10(6-9)13-7-8-4-5-11-8/h1-3,6,8,11-12H,4-5,7H2/t8-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50194315
PNG
((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357067
PNG
(CHEMBL1917234)
Show SMILES CN1CCC[C@@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256280
PNG
((2R,2'S)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)py...)
Show SMILES C1CN[C@@H](C1)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256181
PNG
((5S,2'S)-5-(1-methyl-2-pyrrolidinyl)oxazolidinone ...)
Show SMILES CN1CCC[C@H]1[C@@H]1CNC(=O)O1 |r|
Show InChI InChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)7-5-9-8(11)12-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357071
PNG
(CHEMBL1917237)
Show SMILES Oc1ccc2OC[C@H](Oc2c1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C12H15NO3/c14-8-3-4-10-11(6-8)16-12(7-15-10)9-2-1-5-13-9/h3-4,6,9,12-14H,1-2,5,7H2/t9-,12+/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50113999
PNG
(CHEMBL3603934)
Show SMILES Oc1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1/C10H14N2O2/c13-9-4-10(6-11-5-9)14-7-8-2-1-3-12-8/h4-6,8,12-13H,1-3,7H2/t8-/s2
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3.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357066
PNG
(CHEMBL1917233)
Show SMILES CN1CCC[C@@H]1[C@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM86310
PNG
(DMCAE)
Show SMILES CN(C)CCOC(=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-8(2)5-6-11-7(10)9(3)4/h5-6H2,1-4H3
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5.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 23: 6481-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.023
BindingDB Entry DOI: 10.7270/Q22V2HKF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50259712
PNG
(CHEMBL4061221)
Show InChI InChI=1/C12H16N2O2/c1-14-6-2-3-9(14)12-8-15-10-4-5-13-7-11(10)16-12/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-,12-/s2
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5.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357074
PNG
(CHEMBL1917240)
Show SMILES CC(C)Oc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C16H23NO3/c1-11(2)19-12-6-7-14-15(9-12)20-16(10-18-14)13-5-4-8-17(13)3/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3/t13-,16-/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114003
PNG
(CHEMBL3603948)
Show SMILES [H][C@]1(CCCN1C)[C@H](C)Oc1cccnc1 |r|
Show InChI InChI=1/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12-/s2
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50256279
PNG
((2S,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13+/m0/s1
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8.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114016
PNG
(CHEMBL3603938)
Show SMILES CC(Oc1ccccc1)C1CCCN1C
Show InChI InChI=1/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
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8.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50259715
PNG
(CHEMBL4076895)
Show InChI InChI=1/C12H16N2O2/c1-14-6-2-3-9(14)12-8-15-10-4-5-13-7-11(10)16-12/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-,12+/s2
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8.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114011
PNG
(CHEMBL3603945)
Show SMILES COc1ccncc1OC[C@@H]1CCCN1C |r|
Show InChI InChI=1/C12H18N2O2/c1-14-7-3-4-10(14)9-16-12-8-13-6-5-11(12)15-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/s2
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9.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256282
PNG
((2R,2'R))-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)p...)
Show SMILES C1CN[C@H](C1)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12+/m1/s1
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1.16E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357076
PNG
(CHEMBL1917224)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(CO)cc2O1 |r|
Show InChI InChI=1S/C14H19NO3/c1-15-6-2-3-11(15)14-9-17-12-5-4-10(8-16)7-13(12)18-14/h4-5,7,11,14,16H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194314
PNG
((2S,2'R)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@@H]1[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m1/s1
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1.25E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256335
PNG
((2S,2'S-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)pyr...)
Show SMILES C1CN[C@@H](C1)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12+/m0/s1
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1.44E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256279
PNG
((2S,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13+/m0/s1
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1.46E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256281
PNG
((2S,2'R-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)pyr...)
Show SMILES C1CN[C@H](C1)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12-/m1/s1
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1.47E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256278
PNG
((2R,2'R)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@@H]1[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13+/m1/s1
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1.48E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50114014
PNG
(CHEMBL3603937)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1ccccc1 |r|
Show InChI InChI=1/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/s2
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1.52E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method


J Med Chem 58: 6665-77 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50259713
PNG
(CHEMBL4095303)
Show InChI InChI=1/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/s2
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antibodypedia
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1.62E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50357065
PNG
(CHEMBL1917232)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256181
PNG
((5S,2'S)-5-(1-methyl-2-pyrrolidinyl)oxazolidinone ...)
Show SMILES CN1CCC[C@H]1[C@@H]1CNC(=O)O1 |r|
Show InChI InChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)7-5-9-8(11)12-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194315
PNG
((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
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