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Compile Data Set for Download or QSAR

Found 74 hits of kd data for polymerid = 3629,49000199,49000200,49000202,49000203   
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))
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
Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat


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 0.145n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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 0.204n/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


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 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


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 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


Citation and Details
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.


Citation and Details
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.


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 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


Citation and Details
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


Citation and Details
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.


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 0.692n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat


Citation and Details
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.


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 0.977n/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)


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 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)


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



University of Bologna

Curated by ChEMBL


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


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



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat


Citation and Details
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.


Citation and Details
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


Citation and Details
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 1.70n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1B adrenergic receptor in rat spleen


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

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)


Citation and Details
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.


Citation and Details
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 2n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1B adrenergic receptor in rat spleen


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

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


Citation and Details
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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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.


Citation and Details
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.


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 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


Citation and Details
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


Citation and Details
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.


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


(Rattus norvegicus (rat))
BDBM50158584
PNG
(2-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H23N5O4/c1-32-20-11-16-17(12-21(20)33-2)26-24(27-23(16)25)29-9-7-28(8-10-29)18-13-19(30)14-5-3-4-6-15(14)22(18)31/h3-6,11-13H,7-10H2,1-2H3,(H2,25,26,27)
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n/an/an/a 3.09n/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)


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 6.17n/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Antagonistic activity against (-)-phenylephrine-induced contraction of rat spleen (Alpha-1B adrenergic receptor )


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 6.92n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor


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 8.91n/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


Citation and Details
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 9.33n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50408670
PNG
(CHEMBL144768)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN2CCSC2)cc1
Show InChI InChI=1S/C29H40N6O3S/c1-33(28(36)22-11-9-21(10-12-22)19-35-15-16-39-20-35)13-7-5-6-8-14-34(2)29-31-24-18-26(38-4)25(37-3)17-23(24)27(30)32-29/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3,(H2,30,31,32)
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n/an/an/a 9.77n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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 13n/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


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


(Rattus norvegicus (rat))
BDBM50408669
PNG
(CHEMBL146724)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CN(C)C
Show InChI InChI=1S/C28H40N6O3/c1-32(2)19-20-13-9-10-14-21(20)27(35)33(3)15-11-7-8-12-16-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h9-10,13-14,17-18H,7-8,11-12,15-16,19H2,1-6H3,(H2,29,30,31)
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n/an/an/a 13.2n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50392639
PNG
(CHEMBL2153551)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1
Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 15.8n/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


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


(Rattus norvegicus (rat))
BDBM50392647
PNG
(CHEMBL2153559)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-20-17(24-3)8-5-9-18(20)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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n/an/an/a 16.6n/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


Citation and Details
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 19.5n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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 26.3n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor


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


(Rattus norvegicus (rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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n/an/an/a 28.2n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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n/an/an/a 28.2n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat


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 28.8n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor


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


(Rattus norvegicus (rat))
BDBM50417539
PNG
(CHEMBL1630941)
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 30.9n/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


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


(Rattus norvegicus (rat))
BDBM50403651
PNG
(CHEMBL29591)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
Show InChI InChI=1S/C21H27N5O4S2/c1-25(20(27)16-6-5-9-30-16)7-10-31-32-11-8-26(2)21-23-15-13-18(29-4)17(28-3)12-14(15)19(22)24-21/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,22,23,24)
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n/an/an/a 32.4n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50403651
PNG
(CHEMBL29591)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
Show InChI InChI=1S/C21H27N5O4S2/c1-25(20(27)16-6-5-9-30-16)7-10-31-32-11-8-26(2)21-23-15-13-18(29-4)17(28-3)12-14(15)19(22)24-21/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,22,23,24)
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n/an/an/a 32.4n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat


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


(Rattus norvegicus (rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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n/an/an/a 33.1n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic receptor


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


(Rattus norvegicus (rat))
BDBM50408683
PNG
(CHEMBL341665)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN(C)C)c1
Show InChI InChI=1S/C28H40N6O3/c1-32(2)19-20-12-11-13-21(16-20)27(35)33(3)14-9-7-8-10-15-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h11-13,16-18H,7-10,14-15,19H2,1-6H3,(H2,29,30,31)
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n/an/an/a 37.1n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50410225
PNG
(CHEMBL178923)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCCCC1CCSS1
Show InChI InChI=1S/C22H31N5O3S2/c1-29-18-13-16-17(14-19(18)30-2)24-22(25-21(16)23)27-10-8-26(9-11-27)20(28)6-4-3-5-15-7-12-31-32-15/h13-15H,3-12H2,1-2H3,(H2,23,24,25)
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n/an/an/a 40.7n/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)


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 42.7n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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