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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'di vaira' 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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50002903
PNG
(CHEMBL223836)
Show SMILES CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15(16)13-5-4-6-14(18)11-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
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15n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50002903
PNG
(CHEMBL223836)
Show SMILES CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15(16)13-5-4-6-14(18)11-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
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17n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417350
PNG
(CHEMBL374584)
Show SMILES CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H18N2O2/c1-12(17-18-9-10-19-17)21-16-8-3-2-7-15(16)13-5-4-6-14(20)11-13/h2-8,11-12,20H,9-10H2,1H3,(H,18,19)
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18n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417350
PNG
(CHEMBL374584)
Show SMILES CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H18N2O2/c1-12(17-18-9-10-19-17)21-16-8-3-2-7-15(16)13-5-4-6-14(20)11-13/h2-8,11-12,20H,9-10H2,1H3,(H,18,19)
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28n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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31n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2c receptor expressed in CHO cells in presence of GppNHp/Na


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412250
PNG
(CHEMBL128168)
Show SMILES CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)
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48n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50002904
PNG
(CHEMBL222928)
Show SMILES CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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60n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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65n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417341
PNG
(CHEMBL397753)
Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1
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72n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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81n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417354
PNG
(CHEMBL396013)
Show SMILES C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m0/s1
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91n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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138n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417353
PNG
(CHEMBL242265)
Show SMILES C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m1/s1
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186n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412250
PNG
(CHEMBL128168)
Show SMILES CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)
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200n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50002904
PNG
(CHEMBL222928)
Show SMILES CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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234n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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257n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50002903
PNG
(CHEMBL223836)
Show SMILES CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H17FN2O/c1-12(17-19-9-10-20-17)21-16-8-3-2-7-15(16)13-5-4-6-14(18)11-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
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269n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417354
PNG
(CHEMBL396013)
Show SMILES C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m0/s1
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302n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417350
PNG
(CHEMBL374584)
Show SMILES CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H18N2O2/c1-12(17-18-9-10-19-17)21-16-8-3-2-7-15(16)13-5-4-6-14(20)11-13/h2-8,11-12,20H,9-10H2,1H3,(H,18,19)
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355n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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363n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2c receptor expressed in CHO cells in presence of GppNHp/Na


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50412250
PNG
(CHEMBL128168)
Show SMILES CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)
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501n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417341
PNG
(CHEMBL397753)
Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1
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537n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417354
PNG
(CHEMBL396013)
Show SMILES C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m0/s1
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589n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50002904
PNG
(CHEMBL222928)
Show SMILES CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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661n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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741n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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933n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417353
PNG
(CHEMBL242265)
Show SMILES C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m1/s1
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977n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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1.23E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417353
PNG
(CHEMBL242265)
Show SMILES C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50385682
PNG
(CHEMBL390842)
Show SMILES C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417341
PNG
(CHEMBL397753)
Show SMILES C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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1.95E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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3.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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3.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415218
PNG
(CHEMBL404557)
Show SMILES C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9-/m1/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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6.31E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50385682
PNG
(CHEMBL390842)
Show SMILES C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
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7.59E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50385682
PNG
(CHEMBL390842)
Show SMILES C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
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7.76E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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9.12E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50415225
PNG
(CHEMBL593620)
Show SMILES C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
Show InChI InChI=1S/C11H24NO2/c1-9-11(2,3)14-10(8-13-9)7-12(4,5)6/h9-10H,7-8H2,1-6H3/q+1/t9-,10+/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50415219
PNG
(CHEMBL595265)
Show SMILES C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
Show InChI InChI=1S/C10H22NO2/c1-8-9(2)13-10(7-12-8)6-11(3,4)5/h8-10H,6-7H2,1-5H3/q+1/t8-,9-,10+/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415222
PNG
(CHEMBL594376)
Show SMILES C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-12-9(7-11-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9-/m1/s1
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1.12E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50385682
PNG
(CHEMBL390842)
Show SMILES C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-11-7-9(12-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
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1.15E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415219
PNG
(CHEMBL595265)
Show SMILES C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
Show InChI InChI=1S/C10H22NO2/c1-8-9(2)13-10(7-12-8)6-11(3,4)5/h8-10H,6-7H2,1-5H3/q+1/t8-,9-,10+/m0/s1
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1.38E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50415219
PNG
(CHEMBL595265)
Show SMILES C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
Show InChI InChI=1S/C10H22NO2/c1-8-9(2)13-10(7-12-8)6-11(3,4)5/h8-10H,6-7H2,1-5H3/q+1/t8-,9-,10+/m0/s1
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1.55E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50415224
PNG
(CHEMBL593685)
Show SMILES C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
Show InChI InChI=1S/C11H24NO2/c1-9-11(2,3)14-10(8-13-9)7-12(4,5)6/h9-10H,7-8H2,1-6H3/q+1/t9-,10-/m1/s1
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1.62E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50415225
PNG
(CHEMBL593620)
Show SMILES C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
Show InChI InChI=1S/C11H24NO2/c1-9-11(2,3)14-10(8-13-9)7-12(4,5)6/h9-10H,7-8H2,1-6H3/q+1/t9-,10+/m0/s1
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1.66E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415215
PNG
(CHEMBL593871)
Show SMILES C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
Show InChI InChI=1S/C10H22NO2/c1-8-9(2)13-10(7-12-8)6-11(3,4)5/h8-10H,6-7H2,1-5H3/q+1/t8-,9-,10-/m1/s1
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1.66E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415217
PNG
(CHEMBL593443)
Show SMILES C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
Show InChI InChI=1S/C9H20NO2/c1-8-6-12-9(7-11-8)5-10(2,3)4/h8-9H,5-7H2,1-4H3/q+1/t8-,9+/m0/s1
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PubMed
1.74E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting


Bioorg Med Chem 17: 8174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.10.027
BindingDB Entry DOI: 10.7270/Q2125TW3
More data for this
Ligand-Target Pair
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