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Compile Data Set for Download or QSAR

Found 1046 hits with Last Name = 'pinard' and Initial = 'e'   
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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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12n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218779
PNG
(CHEMBL306899)
Show SMILES OC(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2
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24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218777
PNG
(CHEMBL66626)
Show SMILES CC(CN1CCC(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3
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92n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50220687
PNG
(CHEMBL299546)
Show SMILES Nc1cc(N2CCc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C18H17N3/c19-18-11-17(15-7-3-4-8-16(15)20-18)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H2,19,20)
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120n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha receptor in rat brain using [3H]prazosin as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124139
PNG
(CHEMBL167004 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CN(C)c1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3
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150n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50080029
PNG
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)
Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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180n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218774
PNG
(CHEMBL68831)
Show SMILES OC(CN1CCC(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2
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305n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218782
PNG
(CHEMBL70615)
Show SMILES COC(CN1CCC(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3
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305n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127814
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylam...)
Show SMILES Nc1cc(ccn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C14H15N3/c15-14-9-13(5-7-16-14)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
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400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124142
PNG
(CHEMBL166599 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
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430n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50220686
PNG
(CHEMBL50872)
Show SMILES OCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)
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430n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124139
PNG
(CHEMBL167004 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CN(C)c1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3
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490n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124134
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6,7-dihydro-5H...)
Show SMILES Nc1cc(nc2CCCc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)
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510n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218781
PNG
(CHEMBL69219)
Show SMILES Oc1ccc(CC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2
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610n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127821
PNG
(8-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES Clc1cccc2CCN(Cc12)c1ccncc1
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-6-9-17(10-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
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650n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127812
PNG
(5-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES Clc1cccc2CN(CCc12)c1ccncc1
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-10-17(9-6-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
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660n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124137
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-ethyl-pyridi...)
Show SMILES CCc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)
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670n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127824
PNG
(2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline | C...)
Show SMILES C1Cc2ccccc2CN1c1ccncc1
Show InChI InChI=1S/C14H14N2/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14/h1-6,8-9H,7,10-11H2
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720n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124131
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyrid...)
Show SMILES Cc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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730n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124134
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6,7-dihydro-5H...)
Show SMILES Nc1cc(nc2CCCc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)
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730n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124133
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrid...)
Show SMILES Cc1cnc(cc1N)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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870n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127815
PNG
(4-Methyl-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES CC1CN(Cc2ccccc12)c1ccncc1
Show InChI InChI=1S/C15H16N2/c1-12-10-17(14-6-8-16-9-7-14)11-13-4-2-3-5-15(12)13/h2-9,12H,10-11H2,1H3
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900n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127825
PNG
(7-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES Clc1ccc2CCN(Cc2c1)c1ccncc1
Show InChI InChI=1S/C14H13ClN2/c15-13-2-1-11-5-8-17(10-12(11)9-13)14-3-6-16-7-4-14/h1-4,6-7,9H,5,8,10H2
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124133
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrid...)
Show SMILES Cc1cnc(cc1N)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124140
PNG
(CHEMBL354482 | [4-Amino-6-(3,4-dihydro-1H-isoquino...)
Show SMILES Nc1cc(CO)nc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)
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1.10E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124144
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylam...)
Show SMILES Nc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
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1.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124142
PNG
(CHEMBL166599 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
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1.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127825
PNG
(7-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES Clc1ccc2CCN(Cc2c1)c1ccncc1
Show InChI InChI=1S/C14H13ClN2/c15-13-2-1-11-5-8-17(10-12(11)9-13)14-3-6-16-7-4-14/h1-4,6-7,9H,5,8,10H2
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1.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127812
PNG
(5-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES Clc1cccc2CN(CCc12)c1ccncc1
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-10-17(9-6-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127819
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyrid...)
Show SMILES Cc1cc(cc(N)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-8-14(9-15(16)17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha receptor in rat brain using [3H]prazosin as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127823
PNG
(2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinolin-2-...)
Show SMILES OCCNc1cc(N2CCc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C20H21N3O/c24-12-10-21-20-13-19(17-7-3-4-8-18(17)22-20)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)
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1.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha receptor in rat brain using [3H]prazosin as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124140
PNG
(CHEMBL354482 | [4-Amino-6-(3,4-dihydro-1H-isoquino...)
Show SMILES Nc1cc(CO)nc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)
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1.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124142
PNG
(CHEMBL166599 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
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1.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124144
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylam...)
Show SMILES Nc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
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1.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127814
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylam...)
Show SMILES Nc1cc(ccn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C14H15N3/c15-14-9-13(5-7-16-14)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
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2.10E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha receptor in rat brain using [3H]prazosin as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127815
PNG
(4-Methyl-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES CC1CN(Cc2ccccc12)c1ccncc1
Show InChI InChI=1S/C15H16N2/c1-12-10-17(14-6-8-16-9-7-14)11-13-4-2-3-5-15(12)13/h2-9,12H,10-11H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124145
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-y...)
Show SMILES OCCNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)
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2.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50124145
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-y...)
Show SMILES OCCNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)
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2.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218780
PNG
(CHEMBL302292)
Show SMILES OC(CN1CCC(O)(Cc2ccc(Br)cc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2
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2.44E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124137
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-ethyl-pyridi...)
Show SMILES CCc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)
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2.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127819
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyrid...)
Show SMILES Cc1cc(cc(N)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-8-14(9-15(16)17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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2.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50127827
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline | CH...)
Show SMILES C1Cc2ccccc2CN1c1ccnc2ccccc12
Show InChI InChI=1S/C18H16N2/c1-2-6-15-13-20(12-10-14(15)5-1)18-9-11-19-17-8-4-3-7-16(17)18/h1-9,11H,10,12-13H2
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2.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]-pirenzepine as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124131
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyrid...)
Show SMILES Cc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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2.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124136
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-py...)
Show SMILES Cc1cnc(cc1NCCO)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127827
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline | CH...)
Show SMILES C1Cc2ccccc2CN1c1ccnc2ccccc12
Show InChI InChI=1S/C18H16N2/c1-2-6-15-13-20(12-10-14(15)5-1)18-9-11-19-17-8-4-3-7-16(17)18/h1-9,11H,10,12-13H2
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3.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50124151
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-py...)
Show SMILES Cc1cc(NCCO)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127826
PNG
(2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-py...)
Show SMILES Cc1cc(cc(NCCO)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-10-16(11-17(19-13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha receptor in rat brain using [3H]prazosin as radioligand


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127821
PNG
(8-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquin...)
Show SMILES Clc1cccc2CCN(Cc12)c1ccncc1
Show InChI InChI=1S/C14H13ClN2/c15-14-3-1-2-11-6-9-17(10-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
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3.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin


Bioorg Med Chem Lett 13: 1759-62 (2003)


Article DOI: 10.1016/s0960-894x(03)00232-4
BindingDB Entry DOI: 10.7270/Q2513XKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124151
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-py...)
Show SMILES Cc1cc(NCCO)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50218778
PNG
(CHEMBL65954)
Show SMILES OC(CN1CCC(O)(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2
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4.51E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
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