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Compile Data Set for Download or QSAR

Found 27 hits of ic50 data for polymerid = 3629   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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/a 0.190n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1B receptor in Wistar rat liver membrane after 60 mins


J Med Chem 52: 7397-409 (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/a 0.851n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter


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

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


(Rattus norvegicus (rat))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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n/an/a 6.03n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter


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

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


(Rattus norvegicus (rat))
BDBM50063907
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat spleen Alpha-1B adrenergic receptor subtype.


J Med Chem 41: 1205-8 (1998)

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


(Rattus norvegicus (rat))
BDBM50063907
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat liver Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)

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


(Rattus norvegicus (rat))
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat spleen Alpha-1B adrenergic receptor subtype


J Med Chem 41: 1205-8 (1998)

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


(Rattus norvegicus (rat))
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat liver Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)

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


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



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


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



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


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



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


(Rattus norvegicus (rat))
BDBM50057453
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butoxy}...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
Show InChI InChI=1S/C31H34N2O4/c1-23-29(34)25-13-10-16-28(31(25)37-30(23)24-11-4-3-5-12-24)36-22-9-8-17-32-18-20-33(21-19-32)26-14-6-7-15-27(26)35-2/h3-7,10-16H,8-9,17-22H2,1-2H3
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n/an/a 39n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


(Rattus norvegicus (rat))
BDBM50057496
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C30H31N3O4/c1-21-27(34)23-11-8-12-24(29(23)37-28(21)22-9-4-3-5-10-22)30(35)31-15-16-32-17-19-33(20-18-32)25-13-6-7-14-26(25)36-2/h3-14H,15-20H2,1-2H3,(H,31,35)
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n/an/a 79n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


(Rattus norvegicus (rat))
BDBM50160154
PNG
(1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluo...)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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n/an/a 90n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus (rat))
BDBM50299208
PNG
(4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)pro...)
Show SMILES Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
Show InChI InChI=1S/C21H29N5O/c1-4-19-17(3)23-26(21(27)20(19)22)11-5-10-24-12-14-25(15-13-24)18-8-6-16(2)7-9-18/h4,6-9H,1,5,10-15,22H2,2-3H3
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n/an/a 102n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1B receptor in Wistar rat liver membrane after 60 mins


J Med Chem 52: 7397-409 (2009)

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


(Rattus norvegicus (rat))
BDBM50057456
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C33H37N3O4/c1-23(2)39-29-16-8-7-15-28(29)36-21-19-35(20-22-36)18-10-17-34-33(38)27-14-9-13-26-30(37)24(3)31(40-32(26)27)25-11-5-4-6-12-25/h4-9,11-16,23H,10,17-22H2,1-3H3,(H,34,38)
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n/an/a 108n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


(Rattus norvegicus (rat))
BDBM50195275
PNG
(CHEMBL3916182)
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus (rat))
BDBM50195274
PNG
(CHEMBL3892879)
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus (rat))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding against Alpha-1B adrenergic receptor from rat liver


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


(Rattus norvegicus (rat))
BDBM50063908
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-pipe...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat spleen Alpha-1B adrenergic receptor subtype.


J Med Chem 41: 1205-8 (1998)

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


(Rattus norvegicus (rat))
BDBM50422380
PNG
(CHEMBL1203232)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(37-21-13-15-23-39-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-29-25-27-51(43-53)49-73-33-19-11-9-17-31-71-35-41-89-90-42-36-72-32-18-10-12-20-34-74-50-52-28-26-30-54(44-52)66(84)80(2)38-22-14-16-24-40-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h25-30,43-48,71-74H,9-24,31-42,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


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


(Rattus norvegicus (rat))
BDBM50422382
PNG
(CHEMBL1203233)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(39-25-13-15-27-41-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-31-19-17-29-51(53)49-73-35-23-11-9-21-33-71-37-43-89-90-44-38-72-34-22-10-12-24-36-74-50-52-30-18-20-32-54(52)66(84)80(2)40-26-14-16-28-42-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h17-20,29-32,45-48,71-74H,9-16,21-28,33-44,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 1.86E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


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


(Rattus norvegicus (rat))
BDBM50422383
PNG
(CHEMBL1203235)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(39-21-13-15-23-41-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-29-25-51(26-30-53)49-73-35-19-11-9-17-33-71-37-43-89-90-44-38-72-34-18-10-12-20-36-74-50-52-27-31-54(32-28-52)66(84)80(2)40-22-14-16-24-42-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h25-32,45-48,71-74H,9-24,33-44,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


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


(Rattus norvegicus (rat))
BDBM50063908
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-pipe...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m0/s1
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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat liver Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)

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


(Rattus norvegicus (rat))
BDBM50422379
PNG
(CHEMBL263289)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C60H84N14O6S2/c1-77-51-37-47-49(39-53(51)79-3)67-59(69-55(47)61)73-31-27-71(28-32-73)57(75)45-19-11-9-17-43(45)41-65-23-15-7-5-13-21-63-25-35-81-82-36-26-64-22-14-6-8-16-24-66-42-44-18-10-12-20-46(44)58(76)72-29-33-74(34-30-72)60-68-50-40-54(80-4)52(78-2)38-48(50)56(62)70-60/h9-12,17-20,37-40,63-66H,5-8,13-16,21-36,41-42H2,1-4H3,(H2,61,67,69)(H2,62,68,70)
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n/an/a 5.13E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


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


(Rattus norvegicus (rat))
BDBM50422381
PNG
(CHEMBL384790)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C60H84N14O6S2/c1-77-51-37-47-49(39-53(51)79-3)67-59(69-55(47)61)73-31-27-71(28-32-73)57(75)45-17-13-43(14-18-45)41-65-23-11-7-5-9-21-63-25-35-81-82-36-26-64-22-10-6-8-12-24-66-42-44-15-19-46(20-16-44)58(76)72-29-33-74(34-30-72)60-68-50-40-54(80-4)52(78-2)38-48(50)56(62)70-60/h13-20,37-40,63-66H,5-12,21-36,41-42H2,1-4H3,(H2,61,67,69)(H2,62,68,70)
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n/an/a 4.17E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


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


(Rattus norvegicus (rat))
BDBM50422384
PNG
(CHEMBL216443)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
Show InChI InChI=1S/C60H84N14O6S2/c1-77-51-37-47-49(39-53(51)79-3)67-59(69-55(47)61)73-29-25-71(26-30-73)57(75)45-17-13-15-43(35-45)41-65-21-11-7-5-9-19-63-23-33-81-82-34-24-64-20-10-6-8-12-22-66-42-44-16-14-18-46(36-44)58(76)72-27-31-74(32-28-72)60-68-50-40-54(80-4)52(78-2)38-48(50)56(62)70-60/h13-18,35-40,63-66H,5-12,19-34,41-42H2,1-4H3,(H2,61,67,69)(H2,62,68,70)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


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


(Rattus norvegicus (rat))
BDBM50422378
PNG
(CHEMBL122621)
Show SMILES COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1
Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-16-13-14-29(26-31)27-35-20-11-5-3-9-18-33-22-24-39-40-25-23-34-19-10-4-6-12-21-36-28-30-15-7-8-17-32(30)38-2/h7-8,13-17,26,33-36H,3-6,9-12,18-25,27-28H2,1-2H3
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n/an/a 6.76E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoreceptors on isolated spleen from rat


Citation and Details
More data for this
Ligand-Target Pair