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Compile Data Set for Download or QSAR

Found 483 hits of ic50 data for complexid = 50000229   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50227885
PNG
(CHEMBL264721)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(\S)=N\c1ccccc1
Show InChI InChI=1S/C21H24N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H2,22,24,25)
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n/an/a 0.00692n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.162n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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n/an/a 0.180n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain


J Med Chem 34: 2023-30 (1991)


Article DOI: 10.1021/jm00111a015
BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.360n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes


J Med Chem 31: 2247-56 (1989)


Article DOI: 10.1021/jm00120a003
BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain


J Med Chem 34: 2023-30 (1991)


Article DOI: 10.1021/jm00111a015
BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227843
PNG
(CHEMBL414196)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CC1c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c1-31-20-13-18-19(14-21(20)32-2)26-24(27-22(18)25)29-10-8-28(9-11-29)23(30)17-12-16(17)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H2,25,26,27)
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n/an/a 0.513n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor.


J Med Chem 27: 495-503 (1984)


Article DOI: 10.1021/jm00370a011
BindingDB Entry DOI: 10.7270/Q24B31WH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016963
PNG
(2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 0.690n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227844
PNG
(CHEMBL268768)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+
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n/an/a 0.692n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007693
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2
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n/an/a 0.876n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367315
PNG
(CHEMBL1203220)
Show SMILES O=C1CSC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C18H22N4O2S2/c23-16-13-25-18(24)22(16)8-4-3-7-20-9-11-21(12-10-20)17-14-5-1-2-6-15(14)26-19-17/h1-2,5-6H,3-4,7-13H2
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019378
PNG
(3-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...)
Show SMILES Oc1csc(=O)n1CCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C18H22N4O3S/c23-16-13-26-18(24)22(16)8-4-3-7-20-9-11-21(12-10-20)17-14-5-1-2-6-15(14)25-19-17/h1-2,5-6,13,23H,3-4,7-12H2
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016955
PNG
(4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C19H24N4O2S2/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016966
PNG
(1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101


J Med Chem 32: 1147-56 (1989)


Article DOI: 10.1021/jm00126a002
BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007694
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain


J Med Chem 34: 2023-30 (1991)


Article DOI: 10.1021/jm00111a015
BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227842
PNG
(CHEMBL6339)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CC2CC1C=C2
Show InChI InChI=1S/C22H27N5O3/c1-29-18-11-16-17(12-19(18)30-2)24-22(25-20(16)23)27-7-5-26(6-8-27)21(28)15-10-13-3-4-14(15)9-13/h3-4,11-15H,5-10H2,1-2H3,(H2,23,24,25)
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n/an/a 1.60n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007690
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019376
PNG
(4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fl...)
Show SMILES OC(CCCN1CCN(CC1)c1noc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019359
PNG
(4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...)
Show SMILES OC(CCCN1CCN(CC1)c1nsc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3OS/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001790
PNG
(1-(2-{4-[6-Fluoro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-1-4-20(5-2-18)30-16-22(21-6-3-19(26)15-23(21)30)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of whole rat brain membranes


J Med Chem 35: 4813-22 (1993)


Article DOI: 10.1021/jm00104a006
BindingDB Entry DOI: 10.7270/Q2G73CNK
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007691
PNG
(3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1
Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50020232
PNG
(1-(2-{4-[(1R,3S)-3-(4-Fluoro-phenyl)-indan-1-yl]-p...)
Show SMILES Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H29FN4O/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30/h1-8,22-23H,9-17H2,(H,26,30)/t22-,23+/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membranes


J Med Chem 36: 2761-70 (1993)


Article DOI: 10.1021/jm00071a007
BindingDB Entry DOI: 10.7270/Q2B858RJ
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019372
PNG
(8-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pr...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H30N4O2S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)11-5-10-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)30-24-22/h1-2,6-7H,3-5,8-17H2
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001778
PNG
((Lu 23-086)1-(2-{4-[1-(4-Fluoro-phenyl)-1H-indol-3...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30)
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n/an/a 3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of whole rat brain membranes


J Med Chem 35: 4813-22 (1993)


Article DOI: 10.1021/jm00104a006
BindingDB Entry DOI: 10.7270/Q2G73CNK
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of whole rat brain membranes


J Med Chem 35: 4813-22 (1993)


Article DOI: 10.1021/jm00104a006
BindingDB Entry DOI: 10.7270/Q2G73CNK
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227887
PNG
(CHEMBL263077)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,24,25,26)
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n/an/a 3.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227882
PNG
(CHEMBL6347)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C24H27N5O4/c1-31-17-7-4-16(5-8-17)6-9-22(30)28-10-12-29(13-11-28)24-26-19-15-21(33-3)20(32-2)14-18(19)23(25)27-24/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27)/b9-6+
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n/an/a 3.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019368
PNG
(1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1
Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)10-6-5-9-24-11-13-25(14-12-24)21-17-7-3-4-8-18(17)29-23-21/h3-4,7-8H,5-6,9-16H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227894
PNG
(CHEMBL6340)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\C=C\C
Show InChI InChI=1S/C20H25N5O3/c1-4-5-6-7-18(26)24-8-10-25(11-9-24)20-22-15-13-17(28-3)16(27-2)12-14(15)19(21)23-20/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23)/b5-4+,7-6+
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n/an/a 4.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227851
PNG
(CHEMBL266223)
Show SMILES COC(=O)\C=C\C(=O)Nc1ccc(CCCCC(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C30H36N6O6/c1-40-24-18-22-23(19-25(24)41-2)33-30(34-29(22)31)36-16-14-35(15-17-36)27(38)7-5-4-6-20-8-10-21(11-9-20)32-26(37)12-13-28(39)42-3/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,32,37)(H2,31,33,34)/b13-12+
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n/an/a 4.5n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019377
PNG
(8-{4-[4-(6-Chloro-benzo[d]isoxazol-3-yl)-piperazin...)
Show SMILES Clc1ccc2c(noc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H31ClN4O3/c25-18-5-6-19-20(15-18)32-26-23(19)28-13-11-27(12-14-28)9-3-4-10-29-21(30)16-24(17-22(29)31)7-1-2-8-24/h5-6,15H,1-4,7-14,16-17H2
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019375
PNG
(4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fl...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H22FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10H,3,5,11-15H2
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain


J Med Chem 23: 865-73 (1980)


Article DOI: 10.1021/jm00182a011
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367663
PNG
(CHEMBL1237325)
Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C29H28F2N4O2/c30-20-7-5-19(6-8-20)24-18-27(25-17-21(31)9-10-22(24)25)34-14-11-33(12-15-34)13-16-35-28(36)23-3-1-2-4-26(23)32-29(35)37/h1-10,17,24,27H,11-16,18H2,(H,32,37)
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n/an/a 5.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes


J Med Chem 31: 2247-56 (1989)


Article DOI: 10.1021/jm00120a003
BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227892
PNG
(CHEMBL6208)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(\S)=N\C1CCCCC1
Show InChI InChI=1S/C21H30N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,23,30)(H2,22,24,25)
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n/an/a 5.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367652
PNG
(CHEMBL1237330)
Show SMILES Fc1ccc(cc1)C1CC(N2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2ccccc12
Show InChI InChI=1S/C29H29FN4O2/c30-21-11-9-20(10-12-21)25-19-27(23-6-2-1-5-22(23)25)33-16-13-32(14-17-33)15-18-34-28(35)24-7-3-4-8-26(24)31-29(34)36/h1-12,25,27H,13-19H2,(H,31,36)
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n/an/a 5.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes


J Med Chem 31: 2247-56 (1989)


Article DOI: 10.1021/jm00120a003
BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50002334
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro


J Med Chem 35: 4516-25 (1993)


Article DOI: 10.1021/jm00102a002
BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019358
PNG
(8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007689
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O4S/c29-17-5-7-24(13-17)14-21(31)28(22(32)15-24)8-6-18(30)16-26-9-11-27(12-10-26)23-19-3-1-2-4-20(19)33-25-23/h1-4,17-18,29-30H,5-16H2
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n/an/a 7.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227880
PNG
(CHEMBL429379)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1=CC2CCC1C=C2
Show InChI InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14/h3,5,11-15H,4,6-10H2,1-2H3,(H2,24,25,26)
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n/an/a 7.60n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...


J Med Chem 32: 96-100 (1989)


Article DOI: 10.1021/jm00121a020
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019990
PNG
(2-{4-[4-(2,4-Dioxo-1-thia-3-aza-spiro[4.4]non-3-yl...)
Show SMILES COC(=O)c1cccnc1N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
Show InChI InChI=1S/C22H30N4O4S/c1-30-19(27)17-7-6-10-23-18(17)25-15-13-24(14-16-25)11-4-5-12-26-20(28)22(31-21(26)29)8-2-3-9-22/h6-7,10H,2-5,8-9,11-16H2,1H3
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n/an/a 7.80n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor


J Med Chem 31: 618-24 (1988)


Article DOI: 10.1021/jm00398a021
BindingDB Entry DOI: 10.7270/Q2222SR2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50010052
PNG
(2-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES O=S1(=O)N(CCCCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C25H26N2O2S/c28-30(29)24-13-7-11-22-10-6-12-23(25(22)24)27(30)17-5-4-16-26-18-14-21(15-19-26)20-8-2-1-3-9-20/h1-3,6-14H,4-5,15-19H2
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n/an/a 7.80n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
The concentration required to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat brain membranes was measured (in vitro)


J Med Chem 34: 2477-83 (1991)


Article DOI: 10.1021/jm00112a025
BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50010041
PNG
(CHEMBL84087 | {1-[3-(1,1-Dioxo-1H-1lambda*6*-napht...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C25H25FN2O3S/c26-21-10-8-19(9-11-21)25(29)20-12-16-27(17-13-20)14-3-15-28-22-6-1-4-18-5-2-7-23(24(18)22)32(28,30)31/h1-2,4-11,20H,3,12-17H2
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n/an/a 7.90n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
The concentration required to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat brain membranes was measured (in vitro)


J Med Chem 34: 2477-83 (1991)


Article DOI: 10.1021/jm00112a025
BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225742
PNG
(CHEMBL537973)
Show SMILES Cl.Cc1cc2c(CCC(CN[C@@H]3CC[C@@H](Oc4ccccc4)[C@@H]3O)C2=O)s1
Show InChI InChI=1S/C21H25NO3S.ClH/c1-13-11-16-19(26-13)10-7-14(20(16)23)12-22-17-8-9-18(21(17)24)25-15-5-3-2-4-6-15;/h2-6,11,14,17-18,21-22,24H,7-10,12H2,1H3;1H/t14?,17-,18-,21-;/m1./s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 28: 1142-5 (1985)


Article DOI: 10.1021/jm00147a003
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019379
PNG
(4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H22FN3OS/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10H,3,5,11-15H2
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007688
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O3S/c29-18(7-10-28-21(30)15-24(16-22(28)31)8-3-4-9-24)17-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2
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n/an/a 8.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50367314
PNG
(CHEMBL1203224)
Show SMILES CCCC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1
Show InChI InChI=1S/C24H34N4O2S/c1-3-10-24(2)17-21(29)28(22(30)18-24)12-7-6-11-26-13-15-27(16-14-26)23-19-8-4-5-9-20(19)31-25-23/h4-5,8-9H,3,6-7,10-18H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
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