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PubMed code 1648138

Compile data set for download or QSAR
Found 33 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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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0.210n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006954
PNG
(2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-16-6-2-4-8-18(16)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)15-5-1-3-7-17(15)24-20/h1-8,24H,9-14H2,(H,25,30)
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0.530n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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1.80n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
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13n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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50n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001901
PNG
(1-(2-Chloro-phenyl)-piperazine | CHEMBL9841)
Show SMILES Clc1ccccc1N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
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226n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT1A measured by displacing [3H]-8-OH-DPAT from rat cortical membranes; Not determined


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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281n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
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308n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001901
PNG
(1-(2-Chloro-phenyl)-piperazine | CHEMBL9841)
Show SMILES Clc1ccccc1N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
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710n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
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1.18E+3n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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3.51E+3n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006955
PNG
(2-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-17-8-6-16(7-9-17)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)18-4-2-3-5-19(18)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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>5.00E+3n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006963
PNG
(2-(2-Morpholin-4-yl-ethyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCOCC1
Show InChI InChI=1S/C16H18N4O3/c21-15-14-13(11-3-1-2-4-12(11)17-14)18-16(22)20(15)6-5-19-7-9-23-10-8-19/h1-4,17H,5-10H2,(H,18,22)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006954
PNG
(2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-16-6-2-4-8-18(16)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)15-5-1-3-7-17(15)24-20/h1-8,24H,9-14H2,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006951
PNG
(2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-15-5-7-16(8-6-15)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)17-3-1-2-4-18(17)24-20/h1-8,24H,9-14H2,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006954
PNG
(2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-16-6-2-4-8-18(16)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)15-5-1-3-7-17(15)24-20/h1-8,24H,9-14H2,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006955
PNG
(2-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-17-8-6-16(7-9-17)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)18-4-2-3-5-19(18)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006962
PNG
(2-(2-Piperazin-1-yl-ethyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCNCC1
Show InChI InChI=1S/C16H19N5O2/c22-15-14-13(11-3-1-2-4-12(11)18-14)19-16(23)21(15)10-9-20-7-5-17-6-8-20/h1-4,17-18H,5-10H2,(H,19,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006960
PNG
(2-(2-Diethylamino-ethyl)-4,9-dihydro-2,4,9-triaza-...)
Show SMILES CCN(CC)CCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C16H20N4O2/c1-3-19(4-2)9-10-20-15(21)14-13(18-16(20)22)11-7-5-6-8-12(11)17-14/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,22)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006957
PNG
(2-(3-Diethylamino-propyl)-4,9-dihydro-2,4,9-triaza...)
Show SMILES CCN(CC)CCCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C17H22N4O2/c1-3-20(4-2)10-7-11-21-16(22)15-14(19-17(21)23)12-8-5-6-9-13(12)18-15/h5-6,8-9,18H,3-4,7,10-11H2,1-2H3,(H,19,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006959
PNG
(4-[2-(1,3-Dioxo-1,3,4,9-tetrahydro-2,4,9-triaza-fl...)
Show SMILES CCOC(=O)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C19H23N5O4/c1-2-28-19(27)23-10-7-22(8-11-23)9-12-24-17(25)16-15(21-18(24)26)13-5-3-4-6-14(13)20-16/h3-6,20H,2,7-12H2,1H3,(H,21,26)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006955
PNG
(2-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-17-8-6-16(7-9-17)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)18-4-2-3-5-19(18)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006964
PNG
(2-(2-Piperidin-1-yl-ethyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C17H20N4O2/c22-16-15-14(12-6-2-3-7-13(12)18-15)19-17(23)21(16)11-10-20-8-4-1-5-9-20/h2-3,6-7,18H,1,4-5,8-11H2,(H,19,23)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006965
PNG
(2-(3-Dimethylamino-propyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES CN(C)CCCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C15H18N4O2/c1-18(2)8-5-9-19-14(20)13-12(17-15(19)21)10-6-3-4-7-11(10)16-13/h3-4,6-7,16H,5,8-9H2,1-2H3,(H,17,21)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006956
PNG
(2-(2-Pyrrolidin-1-yl-ethyl)-4,9-dihydro-2,4,9-tria...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCCC1
Show InChI InChI=1S/C16H18N4O2/c21-15-14-13(11-5-1-2-6-12(11)17-14)18-16(22)20(15)10-9-19-7-3-4-8-19/h1-2,5-6,17H,3-4,7-10H2,(H,18,22)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006961
PNG
(2-(2-Dimethylamino-ethyl)-4,9-dihydro-2,4,9-triaza...)
Show SMILES CN(C)CCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C14H16N4O2/c1-17(2)7-8-18-13(19)12-11(16-14(18)20)9-5-3-4-6-10(9)15-12/h3-6,15H,7-8H2,1-2H3,(H,16,20)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006951
PNG
(2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-15-5-7-16(8-6-15)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)17-3-1-2-4-18(17)24-20/h1-8,24H,9-14H2,(H,25,30)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%