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Compile Data Set for Download or QSAR

Found 1129 hits Enz. Inhib. hit(s) with Target = 'Alpha adrenergic receptor 1A and 1B'   
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))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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n/an/an/a 0.105n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostatic vas deferans assessed as inhibition of noradrenaline-induced contractions...


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50403647
PNG
(CHEMBL27013)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
Show InChI InChI=1S/C23H31N5O4/c1-27(22(29)18-10-9-13-32-18)11-7-5-6-8-12-28(2)23-25-17-15-20(31-4)19(30-3)14-16(17)21(24)26-23/h9-10,13-15H,5-8,11-12H2,1-4H3,(H2,24,25,26)
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n/an/an/a 0.145n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
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/an/a 0.155n/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic strips


J Med Chem 38: 4944-9 (1996)


Article DOI: 10.1021/jm00025a012
BindingDB Entry DOI: 10.7270/Q2B56KXV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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n/an/an/a 0.204n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonism against Alpha-1B adrenergic receptor using phenylephrine (PE) challenge in rat spleen


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417540
PNG
(CHEMBL1630940)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O
Show InChI InChI=1S/C20H25F3N2O5S/c1-14(11-15-7-8-18(28-2)19(12-15)31(24,26)27)25-9-10-29-16-5-3-4-6-17(16)30-13-20(21,22)23/h3-8,12,14,25H,9-11,13H2,1-2H3,(H2,24,26,27)/t14-/m1/s1
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n/an/an/a 0.263n/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Wistar rat vas deferans assessed as noradrenaline induced contractions after 30 mins


Eur J Med Chem 45: 5800-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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n/an/an/a 0.263n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 0.275n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostatic vas deferans assessed as inhibition of noradrenaline-induced contractions...


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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n/an/an/a 0.309n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostatic Vas Deferens Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)


Article DOI: 10.1021/jm011066n
BindingDB Entry DOI: 10.7270/Q2542PSW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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/an/a 0.309n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at rat Alpha-1B adrenoceptor assessed as inhibition if phenylephrine-induced contraction of spleen


J Med Chem 52: 4951-4 (2009)


Article DOI: 10.1021/jm8016046
BindingDB Entry DOI: 10.7270/Q2NZ88W5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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n/an/an/a 0.324n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostate assessed as inhibition of noradrenaline-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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n/an/an/a 0.339n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonism against Alpha-1A adrenergic receptor using phenylephrine (PE) challenge in rat vas deferens


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50409687
PNG
(CHEMBL44403)
Show SMILES COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C27H29NO4/c1-30-24-13-8-14-25(31-2)27(24)32-16-15-28-18-20-17-23(19-9-4-3-5-10-19)21-11-6-7-12-22(21)26(20)29/h3-14,20,23,28H,15-18H2,1-2H3
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n/an/an/a 0.347n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostate Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)


Article DOI: 10.1021/jm011066n
BindingDB Entry DOI: 10.7270/Q2542PSW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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n/an/an/a 0.437n/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Antagonistic activity against (-)-noradrenaline-induced contraction of rat prostatic vas deferens (Alpha-1A adrenergic receptor )


J Med Chem 46: 1504-11 (2003)


Article DOI: 10.1021/jm021078o
BindingDB Entry DOI: 10.7270/Q2VQ33WN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50409687
PNG
(CHEMBL44403)
Show SMILES COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C27H29NO4/c1-30-24-13-8-14-25(31-2)27(24)32-16-15-28-18-20-17-23(19-9-4-3-5-10-19)21-11-6-7-12-22(21)26(20)29/h3-14,20,23,28H,15-18H2,1-2H3
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n/an/an/a 0.447n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostatic Vas Deferens Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)


Article DOI: 10.1021/jm011066n
BindingDB Entry DOI: 10.7270/Q2542PSW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408671
PNG
(CHEMBL144224)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1
Show InChI InChI=1S/C25H33N5O3/c1-29(24(31)18-12-8-7-9-13-18)14-10-5-6-11-15-30(2)25-27-20-17-22(33-4)21(32-3)16-19(20)23(26)28-25/h7-9,12-13,16-17H,5-6,10-11,14-15H2,1-4H3,(H2,26,27,28)
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n/an/an/a 0.447n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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n/an/an/a 0.537n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostate Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)


Article DOI: 10.1021/jm011066n
BindingDB Entry DOI: 10.7270/Q2542PSW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408676
PNG
(CHEMBL138681)
Show SMILES CNCCCCCCN(C)Cc1ccc(cc1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C34H53N7O3/c1-36-19-11-7-8-12-20-39(2)25-26-15-17-27(18-16-26)33(42)40(3)21-13-9-10-14-22-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-18,23-24,36H,7-14,19-22,25H2,1-6H3,(H2,35,37,38)
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n/an/an/a 0.617n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
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n/an/an/a 0.661n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at rat Alpha-1B adrenoceptor assessed as inhibition if phenylephrine-induced contraction of spleen


J Med Chem 52: 4951-4 (2009)


Article DOI: 10.1021/jm8016046
BindingDB Entry DOI: 10.7270/Q2NZ88W5
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408677
PNG
(CHEMBL144776)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCN
Show InChI InChI=1S/C32H49N7O3/c1-38(31(40)25-16-10-9-15-24(25)23-35-18-12-6-5-11-17-33)19-13-7-8-14-20-39(2)32-36-27-22-29(42-4)28(41-3)21-26(27)30(34)37-32/h9-10,15-16,21-22,35H,5-8,11-14,17-20,23,33H2,1-4H3,(H2,34,36,37)
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n/an/an/a 0.676n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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n/an/an/a 0.676n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50407715
PNG
(CHEMBL147984)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1nonc1-c1ccccc1
Show InChI InChI=1S/C22H23N7O5S/c1-32-17-12-15-16(13-18(17)33-2)24-22(25-20(15)23)28-8-10-29(11-9-28)35(30,31)21-19(26-34-27-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,23,24,25)
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n/an/an/a 0.676n/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic strips


J Med Chem 38: 4944-9 (1996)


Article DOI: 10.1021/jm00025a012
BindingDB Entry DOI: 10.7270/Q2B56KXV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408674
PNG
(CHEMBL358060)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)cc1
Show InChI InChI=1S/C26H34ClN5O3/c1-31(25(33)19-11-9-18(17-27)10-12-19)13-7-5-6-8-14-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h9-12,15-16H,5-8,13-14,17H2,1-4H3,(H2,28,29,30)
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n/an/an/a 0.708n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50403647
PNG
(CHEMBL27013)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
Show InChI InChI=1S/C23H31N5O4/c1-27(22(29)18-10-9-13-32-18)11-7-5-6-8-12-28(2)23-25-17-15-20(31-4)19(30-3)14-16(17)21(24)26-23/h9-10,13-15H,5-8,11-12H2,1-4H3,(H2,24,25,26)
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n/an/an/a 0.912n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of the norepinephrine induced contraction of rat isolated prostatic vas deferens.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 0.912n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostate assessed as inhibition of noradrenaline-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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/an/a 0.977n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)


J Med Chem 48: 28-31 (2005)


Article DOI: 10.1021/jm049153d
BindingDB Entry DOI: 10.7270/Q20866HV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50410226
PNG
(CHEMBL178673)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC1CCSS1
Show InChI InChI=1S/C19H25N5O3S2/c1-26-15-10-13-14(11-16(15)27-2)21-19(22-18(13)20)24-6-4-23(5-7-24)17(25)9-12-3-8-28-29-12/h10-12H,3-9H2,1-2H3,(H2,20,21,22)
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n/an/an/a 1n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Blocking activity was assessed by antagonism of (-)-noradrenaline induced contraction of rat prostatic vas deferens (alpha1A adrenoceptor)


J Med Chem 48: 28-31 (2005)


Article DOI: 10.1021/jm049153d
BindingDB Entry DOI: 10.7270/Q20866HV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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/an/a 1.02n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50410226
PNG
(CHEMBL178673)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC1CCSS1
Show InChI InChI=1S/C19H25N5O3S2/c1-26-15-10-13-14(11-16(15)27-2)21-19(22-18(13)20)24-6-4-23(5-7-24)17(25)9-12-3-8-28-29-12/h10-12H,3-9H2,1-2H3,(H2,20,21,22)
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n/an/an/a 1.02n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)


J Med Chem 48: 28-31 (2005)


Article DOI: 10.1021/jm049153d
BindingDB Entry DOI: 10.7270/Q20866HV
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/an/a 1.05n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Blocking activity was assessed by antagonism of (-)-noradrenaline induced contraction of rat prostatic vas deferens (alpha1A adrenoceptor)


J Med Chem 48: 28-31 (2005)


Article DOI: 10.1021/jm049153d
BindingDB Entry DOI: 10.7270/Q20866HV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408675
PNG
(CHEMBL144238)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)o1
Show InChI InChI=1S/C24H32ClN5O4/c1-29(23(31)19-10-9-16(15-25)34-19)11-7-5-6-8-12-30(2)24-27-18-14-21(33-4)20(32-3)13-17(18)22(26)28-24/h9-10,13-14H,5-8,11-12,15H2,1-4H3,(H2,26,27,28)
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n/an/an/a 1.07n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50407714
PNG
(CHEMBL145838)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C22H23N7O6S/c1-33-17-12-15-16(13-18(17)34-2)24-22(25-20(15)23)27-8-10-28(11-9-27)36(31,32)21-19(29(30)35-26-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,23,24,25)
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n/an/an/a 1.10n/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic strips


J Med Chem 38: 4944-9 (1996)


Article DOI: 10.1021/jm00025a012
BindingDB Entry DOI: 10.7270/Q2B56KXV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50417540
PNG
(CHEMBL1630940)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O
Show InChI InChI=1S/C20H25F3N2O5S/c1-14(11-15-7-8-18(28-2)19(12-15)31(24,26)27)25-9-10-29-16-5-3-4-6-17(16)30-13-20(21,22)23/h3-8,12,14,25H,9-11,13H2,1-2H3,(H2,24,26,27)/t14-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at Alpha-1B adrenoceptor in Wistar rat spleen assessed as phenylephrine induced contractions after 30 mins


Eur J Med Chem 45: 5800-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50409690
PNG
(CHEMBL42472)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1
Show InChI InChI=1S/C26H29NO4/c1-28-24-13-8-14-25(29-2)26(24)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-12-23(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22+/m0/s1
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n/an/an/a 1.12n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostate Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)


Article DOI: 10.1021/jm011066n
BindingDB Entry DOI: 10.7270/Q2542PSW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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n/an/an/a 1.20n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonism against Alpha-1A adrenergic receptor using phenylephrine (PE) challenge in rat vas deferens


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 1.20n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostate assessed as inhibition of noradrenaline-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
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n/an/an/a 1.23n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha1A adrenoceptor assessed as inhibition if norepinephrine-induced contraction of vas deference


J Med Chem 52: 4951-4 (2009)


Article DOI: 10.1021/jm8016046
BindingDB Entry DOI: 10.7270/Q2NZ88W5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50409690
PNG
(CHEMBL42472)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1
Show InChI InChI=1S/C26H29NO4/c1-28-24-13-8-14-25(29-2)26(24)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-12-23(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22+/m0/s1
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n/an/an/a 1.32n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Prostatic Vas Deferens Alpha-1A adrenergic receptor


J Med Chem 45: 1633-43 (2002)


Article DOI: 10.1021/jm011066n
BindingDB Entry DOI: 10.7270/Q2542PSW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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n/an/an/a 1.70n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostatic vas deferans assessed as inhibition of noradrenaline-induced contractions...


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50410227
PNG
(CHEMBL175934)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCSS1
Show InChI InChI=1S/C18H23N5O3S2/c1-25-13-9-11-12(10-14(13)26-2)20-18(21-16(11)19)23-6-4-22(5-7-23)17(24)15-3-8-27-28-15/h9-10,15H,3-8H2,1-2H3,(H2,19,20,21)
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n/an/an/a 1.74n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor)


J Med Chem 48: 28-31 (2005)


Article DOI: 10.1021/jm049153d
BindingDB Entry DOI: 10.7270/Q20866HV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408680
PNG
(CHEMBL144677)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CCl
Show InChI InChI=1S/C26H34ClN5O3/c1-31(25(33)19-12-8-7-11-18(19)17-27)13-9-5-6-10-14-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h7-8,11-12,15-16H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)
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n/an/an/a 1.86n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
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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PubMed
n/an/an/a 2.04n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha1A adrenoceptor assessed as inhibition if norepinephrine-induced contraction of vas deference


J Med Chem 52: 4951-4 (2009)


Article DOI: 10.1021/jm8016046
BindingDB Entry DOI: 10.7270/Q2NZ88W5
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50411351
PNG
(CHEMBL242507)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1
Show InChI InChI=1S/C24H29N5O4/c1-14-8-9-19(33-14)23(30)28-10-11-29(18-7-5-4-6-17(18)28)24-26-16-13-21(32-3)20(31-2)12-15(16)22(25)27-24/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t17-,18+/m0/s1
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n/an/an/a 2.24n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity against adrenergic Alpha-1B receptor in rat spleen assessed as inhibition of phenylephrine-induced response


Bioorg Med Chem 15: 2334-45 (2007)


Article DOI: 10.1016/j.bmc.2007.01.028
BindingDB Entry DOI: 10.7270/Q2G16229
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408679
PNG
(CHEMBL342997)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)o1
Show InChI InChI=1S/C26H38N6O4/c1-30(2)17-18-11-12-21(36-18)25(33)31(3)13-9-7-8-10-14-32(4)26-28-20-16-23(35-6)22(34-5)15-19(20)24(27)29-26/h11-12,15-16H,7-10,13-14,17H2,1-6H3,(H2,27,28,29)
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PubMed
n/an/an/a 2.40n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408668
PNG
(CHEMBL357669)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN)c1
Show InChI InChI=1S/C26H36N6O3/c1-31(25(33)19-11-9-10-18(14-19)17-27)12-7-5-6-8-13-32(2)26-29-21-16-23(35-4)22(34-3)15-20(21)24(28)30-26/h9-11,14-16H,5-8,12-13,17,27H2,1-4H3,(H2,28,29,30)
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n/an/an/a 2.45n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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n/an/an/a 2.5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonism against Alpha-1B adrenergic receptor using phenylephrine (PE) challenge in rat spleen


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
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/an/a 2.51n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of the norepinephrine induced contraction of rat isolated prostatic vas deferens.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 2.75n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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n/an/an/a 2.82n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostate assessed as inhibition of noradrenaline-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50407712
PNG
(CHEMBL358498)
Show SMILES COC(=O)c1c(no[n+]1[O-])C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H21N7O7/c1-30-12-8-10-11(9-13(12)31-2)21-19(22-16(10)20)25-6-4-24(5-7-25)17(27)14-15(18(28)32-3)26(29)33-23-14/h8-9H,4-7H2,1-3H3,(H2,20,21,22)
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n/an/an/a 2.82n/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic strips


J Med Chem 38: 4944-9 (1996)


Article DOI: 10.1021/jm00025a012
BindingDB Entry DOI: 10.7270/Q2B56KXV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50408678
PNG
(CHEMBL144263)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C28H40N6O3/c1-32(2)19-20-11-13-21(14-12-20)27(35)33(3)15-9-7-8-10-16-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h11-14,17-18H,7-10,15-16,19H2,1-6H3,(H2,29,30,31)
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n/an/an/a 2.95n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.


J Med Chem 41: 4844-53 (1998)


Article DOI: 10.1021/jm9810654
BindingDB Entry DOI: 10.7270/Q22J6D3B
More data for this
Ligand-Target Pair
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