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Compile Data Set for Download or QSAR

Found 757 hits with Last Name = 'khilevich' and Initial = 'a'   
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50471340
PNG
(CHEMBL317912)
Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50471340
PNG
(CHEMBL317912)
Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
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8.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (0.009 - 0.015)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474660
PNG
(CHEMBL111771)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-13-5-3-4-10-11(13)6-7-12(10)14-8-15-9-16-14/h3-5,8-9,12,17H,2,6-7H2,1H3,(H,15,16)
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50474632
PNG
(CHEMBL327116)
Show SMILES CCS(=O)(=O)Nc1ccc2CCCC(c3c[nH]cn3)c2c1
Show InChI InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-12-7-6-11-4-3-5-13(14(11)8-12)15-9-16-10-17-15/h6-10,13,18H,2-5H2,1H3,(H,16,17)
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474632
PNG
(CHEMBL327116)
Show SMILES CCS(=O)(=O)Nc1ccc2CCCC(c3c[nH]cn3)c2c1
Show InChI InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-12-7-6-11-4-3-5-13(14(11)8-12)15-9-16-10-17-15/h6-10,13,18H,2-5H2,1H3,(H,16,17)
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50471340
PNG
(CHEMBL317912)
Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474630
PNG
(CHEMBL108804)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O3S/c1-21(19,20)17-14-11-4-2-3-10(12-7-15-8-16-12)9(11)5-6-13(14)18/h5-8,10,17-18H,2-4H2,1H3,(H,15,16)
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36n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474630
PNG
(CHEMBL108804)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O3S/c1-21(19,20)17-14-11-4-2-3-10(12-7-15-8-16-12)9(11)5-6-13(14)18/h5-8,10,17-18H,2-4H2,1H3,(H,15,16)
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474631
PNG
(CHEMBL323004)
Show SMILES CCS(=O)(=O)Nc1cc(Cl)cc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-14-7-10(16)6-13-11(14)4-3-5-12(13)15-8-17-9-18-15/h6-9,12,19H,2-5H2,1H3,(H,17,18)
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46n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474633
PNG
(CHEMBL111496)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-14-8-4-5-11-12(14)6-3-7-13(11)15-9-16-10-17-15/h4-5,8-10,13,18H,2-3,6-7H2,1H3,(H,16,17)
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47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50474630
PNG
(CHEMBL108804)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O3S/c1-21(19,20)17-14-11-4-2-3-10(12-7-15-8-16-12)9(11)5-6-13(14)18/h5-8,10,17-18H,2-4H2,1H3,(H,15,16)
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48n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50474654
PNG
(CHEMBL323402)
Show SMILES Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H15N3/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-7-15-8-16-13/h2-3,6-8,11H,1,4-5,14H2,(H,15,16)
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49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474654
PNG
(CHEMBL323402)
Show SMILES Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H15N3/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-7-15-8-16-13/h2-3,6-8,11H,1,4-5,14H2,(H,15,16)
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72n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204269
PNG
(CHEMBL3909237)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
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76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474642
PNG
(CHEMBL110975)
Show SMILES CCS(=O)(=O)Nc1cc(F)cc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H18FN3O2S/c1-2-22(20,21)19-14-7-10(16)6-13-11(14)4-3-5-12(13)15-8-17-9-18-15/h6-9,12,19H,2-5H2,1H3,(H,17,18)
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83n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474638
PNG
(CHEMBL111463)
Show SMILES CN(c1cccc2C(CCCc12)c1c[nH]cn1)S(C)(=O)=O
Show InChI InChI=1S/C15H19N3O2S/c1-18(21(2,19)20)15-8-4-5-11-12(6-3-7-13(11)15)14-9-16-10-17-14/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,16,17)
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85n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474637
PNG
(CHEMBL2111710)
Show SMILES CS(=O)(=O)Nc1cccc2[C@@H](CCCc12)c1c[nH]cn1 |r|
Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)/t12-/m1/s1
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91n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474660
PNG
(CHEMBL111771)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-13-5-3-4-10-11(13)6-7-12(10)14-8-15-9-16-14/h3-5,8-9,12,17H,2,6-7H2,1H3,(H,15,16)
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98n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474644
PNG
(CHEMBL112814)
Show SMILES O=S(=O)(Nc1cccc2C(CCCc12)c1c[nH]cn1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N3O2S/c27-29(28,18-12-11-16-5-1-2-6-17(16)13-18)26-22-10-4-7-19-20(22)8-3-9-21(19)23-14-24-15-25-23/h1-2,4-7,10-15,21,26H,3,8-9H2,(H,24,25)
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474671
PNG
(CHEMBL111554)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
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105n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50471340
PNG
(CHEMBL317912)
Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
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115n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of bovine clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474666
PNG
(CHEMBL321644)
Show SMILES FC(F)(F)CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)8-24(22,23)21-13-6-2-3-10-11(13)4-1-5-12(10)14-7-19-9-20-14/h2-3,6-7,9,12,21H,1,4-5,8H2,(H,19,20)
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123n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474643
PNG
(CHEMBL111734)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C
Show InChI InChI=1S/C13H17N3O2S/c1-3-19(17,18)16-13-6-4-5-11(10(13)2)7-12-8-14-9-15-12/h4-6,8-9,16H,3,7H2,1-2H3,(H,14,15)
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129n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50474633
PNG
(CHEMBL111496)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-14-8-4-5-11-12(14)6-3-7-13(11)15-9-16-10-17-15/h4-5,8-10,13,18H,2-3,6-7H2,1H3,(H,16,17)
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132n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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135n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50474654
PNG
(CHEMBL323402)
Show SMILES Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H15N3/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-7-15-8-16-13/h2-3,6-8,11H,1,4-5,14H2,(H,15,16)
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138n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of bovine clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor ; value ranges from (0.12 - 0.15)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(HAMSTER)
BDBM50471340
PNG
(CHEMBL317912)
Show SMILES Oc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)
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145n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50474635
PNG
(CHEMBL109827)
Show SMILES COC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H17N3O2/c1-20-15(19)18-13-7-3-4-10-11(13)5-2-6-12(10)14-8-16-9-17-14/h3-4,7-9,12H,2,5-6H2,1H3,(H,16,17)(H,18,19)
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148n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of bovine clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474673
PNG
(CHEMBL110751)
Show SMILES FC(F)(F)C(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H14F3N3O/c16-15(17,18)14(22)21-12-6-2-3-9-10(12)4-1-5-11(9)13-7-19-8-20-13/h2-3,6-8,11H,1,4-5H2,(H,19,20)(H,21,22)
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166n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434132
PNG
(CHEMBL2381642)
Show SMILES N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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166n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50474660
PNG
(CHEMBL111771)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-13-5-3-4-10-11(13)6-7-12(10)14-8-15-9-16-14/h3-5,8-9,12,17H,2,6-7H2,1H3,(H,15,16)
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186n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474654
PNG
(CHEMBL323402)
Show SMILES Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H15N3/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-7-15-8-16-13/h2-3,6-8,11H,1,4-5,14H2,(H,15,16)
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191n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474671
PNG
(CHEMBL111554)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
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195n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474638
PNG
(CHEMBL111463)
Show SMILES CN(c1cccc2C(CCCc12)c1c[nH]cn1)S(C)(=O)=O
Show InChI InChI=1S/C15H19N3O2S/c1-18(21(2,19)20)15-8-4-5-11-12(6-3-7-13(11)15)14-9-16-10-17-14/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,16,17)
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204n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(HAMSTER)
BDBM50474644
PNG
(CHEMBL112814)
Show SMILES O=S(=O)(Nc1cccc2C(CCCc12)c1c[nH]cn1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N3O2S/c27-29(28,18-12-11-16-5-1-2-6-17(16)13-18)26-22-10-4-7-19-20(22)8-3-9-21(19)23-14-24-15-25-23/h1-2,4-7,10-15,21,26H,3,8-9H2,(H,24,25)
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214n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434133
PNG
(CHEMBL2381643)
Show SMILES N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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230n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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245n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(NEONATAL RAT)
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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263n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474649
PNG
(CHEMBL111685)
Show SMILES CCS(=O)(=O)Nc1cc(cc2C(CCCc12)c1c[nH]cn1)C1CCCCC1
Show InChI InChI=1S/C21H29N3O2S/c1-2-27(25,26)24-20-12-16(15-7-4-3-5-8-15)11-19-17(20)9-6-10-18(19)21-13-22-14-23-21/h11-15,18,24H,2-10H2,1H3,(H,22,23)
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269n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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275n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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275n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
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275n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
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