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Compile Data Set for Download or QSAR

Found 112 hits of kd data for polymerid = 49000195,49000196,49000197,6432   
Target
(Institution)
LigandTarget
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 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 0.105n/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)

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 0.155n/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)

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 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)

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


(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)

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


(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)

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 0.324n/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)

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 0.339n/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)

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


(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)

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


(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)

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


(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)

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


(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)

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


(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)

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


(Rattus norvegicus (Rat))
BDBM50404053
PNG
(CHEMBL51767)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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n/an/an/a 0.851n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Bioorg Med Chem Lett 13: 175-8 (2002)

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 0.912n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1A adrenergic receptor was determined in isolated prostatic vas deferens tissue from rat


Bioorg Med Chem Lett 8: 1353-8 (1999)

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


(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)

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 0.912n/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)

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 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)

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 1.05n/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)

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


(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)

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


(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)

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 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)

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


(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)

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 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)

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


(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)

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 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)

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 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)

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 2.51n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1A adrenergic receptor was determined in isolated prostatic vas deferens tissue from rat


Bioorg Med Chem Lett 8: 1353-8 (1999)

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 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)

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 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)

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


(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)

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


(Rattus norvegicus (Rat))
BDBM50407717
PNG
(CHEMBL147624)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1/C1=C/C=C\C=C/C=C\1
Show InChI InChI=1S/C24H25N7O6S/c1-35-19-14-17-18(15-20(19)36-2)26-24(27-22(17)25)29-10-12-30(13-11-29)38(33,34)23-21(31(32)37-28-23)16-8-6-4-3-5-7-9-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,27)/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,16-8+,16-9+
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n/an/an/a 3.24n/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)

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


(Rattus norvegicus (Rat))
BDBM50099325
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
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n/an/an/a 4.40n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1A adrenergic receptor in rat vas deferens


Bioorg Med Chem Lett 11: 1119-21 (2001)

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


(Rattus norvegicus (Rat))
BDBM50409692
PNG
(CHEMBL40325)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1
Show InChI InChI=1S/C26H29NO3S/c1-28-23-12-8-13-24(29-2)26(23)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-14-25(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22-/m1/s1
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n/an/an/a 4.90n/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)

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


(Rattus norvegicus (Rat))
BDBM50407716
PNG
(CHEMBL146481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1no[n+]([O-])c1C(N)=O
Show InChI InChI=1S/C18H20N8O6/c1-30-11-7-9-10(8-12(11)31-2)21-18(22-15(9)19)25-5-3-24(4-6-25)17(28)13-14(16(20)27)26(29)32-23-13/h7-8H,3-6H2,1-2H3,(H2,20,27)(H2,19,21,22)
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n/an/an/a 5.62n/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)

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


(Rattus norvegicus (Rat))
BDBM50409689
PNG
(CHEMBL297106)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3/t23-,24-/m0/s1
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n/an/an/a 5.75n/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)

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


(Rattus norvegicus (Rat))
BDBM50409689
PNG
(CHEMBL297106)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3/t23-,24-/m0/s1
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n/an/an/a 5.89n/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)

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


(Rattus norvegicus (Rat))
BDBM50409692
PNG
(CHEMBL40325)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1
Show InChI InChI=1S/C26H29NO3S/c1-28-23-12-8-13-24(29-2)26(23)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-14-25(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22-/m1/s1
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n/an/an/a 6.17n/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)

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 6.76n/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)

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


(Rattus norvegicus (Rat))
BDBM50404050
PNG
(CHEMBL298108)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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n/an/an/a 7.94n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Bioorg Med Chem Lett 13: 175-8 (2002)

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


(Rattus norvegicus (Rat))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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n/an/an/a 8.5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1A adrenergic receptor in rat vas deferens


Bioorg Med Chem Lett 11: 1119-21 (2001)

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


(Rattus norvegicus (Rat))
BDBM50408672
PNG
(CHEMBL144000)
Show SMILES CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C34H53N7O3/c1-36-18-11-7-8-12-19-39(2)25-26-16-15-17-27(22-26)33(42)40(3)20-13-9-10-14-21-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-17,22-24,36H,7-14,18-21,25H2,1-6H3,(H2,35,37,38)
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n/an/an/a 8.91n/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)

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 9.10n/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)

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


(Rattus norvegicus (Rat))
BDBM50407713
PNG
(CHEMBL343188)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C18H18N8O5/c1-29-13-7-10-11(8-14(13)30-2)21-18(22-16(10)20)25-5-3-24(4-6-25)17(27)15-12(9-19)26(28)31-23-15/h7-8H,3-6H2,1-2H3,(H2,20,21,22)
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n/an/an/a 9.12n/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)

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 10.7n/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)

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


(Rattus norvegicus (Rat))
BDBM50073272
PNG
(4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
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n/an/an/a 11.8n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Bioorg Med Chem Lett 13: 175-8 (2002)

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


(Rattus norvegicus (Rat))
BDBM50408682
PNG
(CHEMBL148061)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN2CCSC2)c1
Show InChI InChI=1S/C29H40N6O3S/c1-33(28(36)22-11-9-10-21(16-22)19-35-14-15-39-20-35)12-7-5-6-8-13-34(2)29-31-24-18-26(38-4)25(37-3)17-23(24)27(30)32-29/h9-11,16-18H,5-8,12-15,19-20H2,1-4H3,(H2,30,31,32)
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n/an/an/a 15.1n/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)

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


(Rattus norvegicus (Rat))
BDBM50417538
PNG
(CHEMBL1630942)
Show SMILES COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O
Show InChI InChI=1S/C20H26N2O5S/c1-13(10-15-8-9-18(25-3)20(11-15)28(21,23)24)22-12-19-14(2)26-16-6-4-5-7-17(16)27-19/h4-9,11,13-14,19,22H,10,12H2,1-3H3,(H2,21,23,24)/t13-,14-,19+/m1/s1
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n/an/an/a 16.2n/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)

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


(Rattus norvegicus (Rat))
BDBM50408673
PNG
(CHEMBL145181)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CCl)o1
Show InChI InChI=1S/C22H28ClN5O4S2/c1-27(21(29)17-6-5-14(13-23)32-17)7-9-33-34-10-8-28(2)22-25-16-12-19(31-4)18(30-3)11-15(16)20(24)26-22/h5-6,11-12H,7-10,13H2,1-4H3,(H2,24,25,26)
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n/an/an/a 16.6n/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)

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 17.0n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity against adrenergic alpha-1A receptor in rat prostatic vas deferens assessed as inhibition of noradrenaline-induced contraction


Bioorg Med Chem 15: 2334-45 (2007)

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


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/an/a 17.4n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Bioorg Med Chem Lett 13: 175-8 (2002)

More data for this
Ligand-Target Pair
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