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Compile Data Set for Download or QSAR

Found 112 hits of kd data for polymerid = 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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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 )


Citation and Details
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


Citation and Details
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.


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
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.


Citation and Details
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


Citation and Details
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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