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Compile Data Set for Download or QSAR

Found 771 hits of ic50 for UniProtKB: P43140   
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
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50223423
PNG
(CHEMBL22352)
Show SMILES NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1S/C8H11NO5S/c9-4-8(15(12,13)14)5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H,12,13,14)
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n/an/a 0.00000400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50223422
PNG
(CHEMBL22195)
Show SMILES CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1S/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)
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n/an/a 0.0000100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50223424
PNG
(CHEMBL280151)
Show SMILES CC(C)NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
Show InChI InChI=1S/C11H17NO5S/c1-7(2)12-6-11(18(15,16)17)8-3-4-9(13)10(14)5-8/h3-5,7,11-14H,6H2,1-2H3,(H,15,16,17)
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n/an/a 0.0000330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate


J Med Chem 24: 1258-60 (1981)


Article DOI: 10.1021/jm00142a026
BindingDB Entry DOI: 10.7270/Q27W6FDS
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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n/an/a 0.0100n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


J Med Chem 42: 3154-62 (1999)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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n/an/a 0.0200n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


J Med Chem 42: 3154-62 (1999)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES CNCCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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n/an/a 0.0400n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


J Med Chem 42: 3154-62 (1999)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/a 0.0400n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


J Med Chem 42: 3154-62 (1999)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 0.0700n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


J Med Chem 42: 3154-62 (1999)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
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
BindingDB Entry DOI: 10.7270/Q20G3NCC
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))
BDBM392076
PNG
(US10301272, Example 7/9)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
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n/an/a 0.25n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat alpha1 adrenoceptor after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 28: 1446-1455 (2018)


BindingDB Entry DOI: 10.7270/Q27W6FPC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 0.25n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


J Med Chem 42: 3154-62 (1999)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(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 0.254n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat submaxillary gland after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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n/an/a 0.269n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter


Eur J Med Chem 46: 3000-12 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.032
BindingDB Entry DOI: 10.7270/Q2M32WVZ
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50195274
PNG
(CHEMBL3892879)
Show SMILES COc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5[C@@H]4Cc3c2c1
Show InChI InChI=1S/C21H20N2O3/c1-24-13-2-3-17-15(7-13)16-8-19-14-9-21-20(25-11-26-21)6-12(14)4-5-23(19)10-18(16)22-17/h2-3,6-7,9,19,22H,4-5,8,10-11H2,1H3/t19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat urethra assessed as inhibition of norepinephrine-induced smooth muscle contraction ...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
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
BindingDB Entry DOI: 10.7270/Q20G3NCC
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
BindingDB Entry DOI: 10.7270/Q2SQ92M9
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
BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86731
PNG
(CAS_74191-85-8 | DOXAZOSIN | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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n/an/a 0.740n/an/an/an/an/an/a



Case Western Reserve University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat alpha1A adrenergic receptor after 60 mins by scintillation counting analysis


Eur J Med Chem 143: 1261-1276 (2018)


BindingDB Entry DOI: 10.7270/Q2D50QG1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50160154
PNG
(1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluo...)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat urethra assessed as inhibition of norepinephrine-induced smooth muscle contraction ...


J Med Chem 59: 9489-9502 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01217
BindingDB Entry DOI: 10.7270/Q2TB18VD
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(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 0.860n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50057449
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C31H32ClN3O3/c1-21-12-13-24(32)20-27(21)35-18-16-34(17-19-35)15-7-14-33-31(37)26-11-6-10-25-28(36)22(2)29(38-30(25)26)23-8-4-3-5-9-23/h3-6,8-13,20H,7,14-19H2,1-2H3,(H,33,37)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50057456
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C33H37N3O4/c1-23(2)39-29-16-8-7-15-28(29)36-21-19-35(20-22-36)18-10-17-34-33(38)27-14-9-13-26-30(37)24(3)31(40-32(26)27)25-11-5-4-6-12-25/h4-9,11-16,23H,10,17-22H2,1-3H3,(H,34,38)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50057462
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyryl...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
Show InChI InChI=1S/C31H32N2O4/c1-22-29(35)25-13-8-12-24(31(25)37-30(22)23-10-4-3-5-11-23)27(34)15-9-17-32-18-20-33(21-19-32)26-14-6-7-16-28(26)36-2/h3-8,10-14,16H,9,15,17-21H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
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))
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
BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain


J Med Chem 33: 2899-905 (1990)


Article DOI: 10.1021/jm00172a035
BindingDB Entry DOI: 10.7270/Q20C4WCM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50057465
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50284027
PNG
(CHEMBL4170029)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCCCCCCCCCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C40H56N10O6/c1-53-31-23-27-29(25-33(31)55-3)43-39(45-37(27)41)49-19-15-47(16-20-49)35(51)13-11-9-7-5-6-8-10-12-14-36(52)48-17-21-50(22-18-48)40-44-30-26-34(56-4)32(54-2)24-28(30)38(42)46-40/h23-26H,5-22H2,1-4H3,(H2,41,43,45)(H2,42,44,46)
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n/an/a 2.5n/an/an/an/an/an/a



Case Western Reserve University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat alpha1A adrenergic receptor after 60 mins by scintillation counting analysis


Eur J Med Chem 143: 1261-1276 (2018)


BindingDB Entry DOI: 10.7270/Q2D50QG1
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
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