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PubMed code 12729659

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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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PubMed
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
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


(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
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
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
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
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
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
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
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
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


(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
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
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50220738
PNG
(CHEMBL48967)
Show SMILES Cc1cc(ccn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H16N2/c1-12-10-15(6-8-16-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3
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5.70E+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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (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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5.80E+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


(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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6.70E+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)
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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6.80E+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)
BDBM50127818
PNG
(CHEMBL441973 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-17-11-16(10-13(2)20-17)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)
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1.10E+4n/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50127818
PNG
(CHEMBL441973 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...)
Show SMILES CCOC(=O)C(=O)Nc1cc(cc(C)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-17-11-16(10-13(2)20-17)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)
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1.20E+4n/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))
BDBM50127813
PNG
(CHEMBL295722 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...)
Show SMILES Cc1cc(cc(NC(=O)CO)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N3O2/c1-12-8-15(9-16(18-12)19-17(22)11-21)20-7-6-13-4-2-3-5-14(13)10-20/h2-5,8-9,21H,6-7,10-11H2,1H3,(H,18,19,22)
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2.00E+4n/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


(RAT)
BDBM50127813
PNG
(CHEMBL295722 | N-[4-(3,4-Dihydro-1H-isoquinolin-2-...)
Show SMILES Cc1cc(cc(NC(=O)CO)n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N3O2/c1-12-8-15(9-16(18-12)19-17(22)11-21)20-7-6-13-4-2-3-5-14(13)10-20/h2-5,8-9,21H,6-7,10-11H2,1H3,(H,18,19,22)
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6.00E+4n/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
* indicates data uncertainty>20%