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Compile Data Set for Download or QSAR

Found 1412 hits of ki data for polymerid = 11048,3629,7888   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100215
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cscc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C21H23N3O3S/c1-27-19-4-2-3-14-15(19)6-5-13-9-23(10-16(13)14)7-8-24-20(25)17-11-28-12-18(17)22-21(24)26/h2-4,11-13,16H,5-10H2,1H3,(H,22,26)/t13-,16+/m0/s1
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1.01n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
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1.02n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100236
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(C)c5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H27N3O3/c1-15-5-3-7-20-22(15)23(28)27(24(29)25-20)12-11-26-13-16-9-10-18-17(19(16)14-26)6-4-8-21(18)30-2/h3-8,16,19H,9-14H2,1-2H3,(H,25,29)/t16-,19+/m0/s1
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1.04n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50187752
PNG
(3-(1-(4-(piperidin-1-yl)butyl)piperidin-4-yl)-1H-i...)
Show SMILES C(CCN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCCCC1
Show InChI InChI=1S/C22H33N3/c1-4-12-24(13-5-1)14-6-7-15-25-16-10-19(11-17-25)21-18-23-22-9-3-2-8-20(21)22/h2-3,8-9,18-19,23H,1,4-7,10-17H2
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1.10n/an/an/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver membranes


Bioorg Med Chem Lett 16: 4045-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.002
BindingDB Entry DOI: 10.7270/Q2514001
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B adrenergic receptor from hamster clones.


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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1.10n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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1.15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 478-86 (2002)


Article DOI: 10.1124/jpet.300.2.478
BindingDB Entry DOI: 10.7270/Q2HX1B77
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100209
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C23H25N3O3/c1-29-21-8-4-6-16-17(21)10-9-15-13-25(14-19(15)16)11-12-26-22(27)18-5-2-3-7-20(18)24-23(26)28/h2-8,15,19H,9-14H2,1H3,(H,24,28)/t15-,19+/m0/s1
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1.16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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1.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099320
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-26-16-5-3-2-4-15(16)22-10-7-21(8-11-22)9-12-23-18(24)14-6-13-27-17(14)20-19(23)25/h2-6,13H,7-12H2,1H3,(H,20,25)
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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1.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50131891
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C33H36N4O7/c1-24-30(38)26-12-7-13-27(32(26)44-31(24)25-10-3-2-4-11-25)33(39)34-16-8-17-35-18-20-36(21-19-35)28-14-5-6-15-29(28)42-22-9-23-43-37(40)41/h2-7,10-15H,8-9,16-23H2,1H3,(H,34,39)
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1.20n/an/an/an/an/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of [3H]-prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO-cells (chinese hamster ovary cells)


J Med Chem 46: 3762-5 (2003)


Article DOI: 10.1021/jm030825u
BindingDB Entry DOI: 10.7270/Q2BZ65FJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100237
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)csc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C22H25N3O3S/c1-13-12-29-20-19(13)23-22(27)25(21(20)26)9-8-24-10-14-6-7-16-15(17(14)11-24)4-3-5-18(16)28-2/h3-5,12,14,17H,6-11H2,1-2H3,(H,23,27)/t14-,17+/m0/s1
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1.28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human adrenergic alpha-1b receptor expressed in CHO cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Overall binding displacement in tissues containing only the Alpha-1B adrenergic receptor (rat spleen, rat liver)


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50217831
PNG
(CHEMBL430706)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 3341-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00690-x
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100214
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O3/c1-15-7-9-20-23(16(15)2)26-25(30)28(24(20)29)12-11-27-13-17-8-10-19-18(21(17)14-27)5-4-6-22(19)31-3/h4-7,9,17,21H,8,10-14H2,1-3H3,(H,26,30)/t17-,21+/m0/s1
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1.32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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1.38n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 791-804 (2002)


Article DOI: 10.1124/jpet.102.039867
BindingDB Entry DOI: 10.7270/Q2MG7N2F
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50414397
PNG
(CHEMBL558890)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m1/s1
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1.41n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells


J Med Chem 52: 4951-4 (2009)


Article DOI: 10.1021/jm8016046
BindingDB Entry DOI: 10.7270/Q2NZ88W5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101655
PNG
(5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3
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1.44n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101657
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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1.45n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50187747
PNG
(3-(1-(5-(piperidin-1-yl)pentyl)piperidin-4-yl)-1H-...)
Show SMILES C(CCN1CCCCC1)CCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H35N3/c1-5-13-25(14-6-1)15-7-2-8-16-26-17-11-20(12-18-26)22-19-24-23-10-4-3-9-21(22)23/h3-4,9-10,19-20,24H,1-2,5-8,11-18H2
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1.5n/an/an/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver membranes


Bioorg Med Chem Lett 16: 4045-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.002
BindingDB Entry DOI: 10.7270/Q2514001
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100229
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3/c1-31-22-4-2-3-17-18(22)8-6-16-13-27(14-20(16)17)9-10-28-23(29)19-7-5-15(12-25)11-21(19)26-24(28)30/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,26,30)/t16-,20+/m0/s1
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1.56n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073563
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31N5O3/c1-36-25-17-23-24(19-26(25)37-2)31-29(32-28(23)30)34-15-13-33(14-16-34)27(35)18-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,19,22H,13-16,18H2,1-2H3,(H2,30,31,32)
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1.57n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined towards Alpha-1B adrenergic receptor in the COS cell line.


J Med Chem 42: 427-37 (1999)


Article DOI: 10.1021/jm9805337
BindingDB Entry DOI: 10.7270/Q2FN15CK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50050916
PNG
(6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-6-7-18(29-4)17(14-16)26-12-10-25(11-13-26)9-5-8-22-19-15-20(27)24(3)21(28)23(19)2/h6-7,14-15,22H,5,8-13H2,1-4H3
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1.58n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Alpha-1B adrenergic receptor hamster smooth muscle using [3H]-prazosin as radioligand


J Med Chem 39: 2253-8 (1996)


Article DOI: 10.1021/jm960069a
BindingDB Entry DOI: 10.7270/Q22Z14NF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100227
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C21H23N3O3S/c1-27-18-4-2-3-14-15(18)6-5-13-11-23(12-16(13)14)8-9-24-20(25)19-17(7-10-28-19)22-21(24)26/h2-4,7,10,13,16H,5-6,8-9,11-12H2,1H3,(H,22,26)/t13-,16+/m0/s1
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1.63n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100228
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
Show InChI InChI=1S/C25H27N3O5/c1-32-22-5-3-4-17-18(22)8-7-16-13-27(14-20(16)17)10-11-28-23(29)19-9-6-15(24(30)33-2)12-21(19)26-25(28)31/h3-6,9,12,16,20H,7-8,10-11,13-14H2,1-2H3,(H,26,31)/t16-,20+/m0/s1
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1.64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50023192
PNG
(CHEMBL3298019)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)C)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C29H36N6O4S/c1-32(2)12-6-9-25(36)30-20-10-11-24-21(19-20)26-27(40-24)28(37)35(29(38)31-26)18-15-33-13-16-34(17-14-33)22-7-4-5-8-23(22)39-3/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3,(H,30,36)(H,31,38)
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1b receptor expressed in HEK293 cells


Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101658
PNG
(4-{2-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C24H28ClN5O2/c1-28-24(31)21(17-20(27-28)18-6-4-3-5-7-18)26-10-11-29-12-14-30(15-13-29)22-16-19(25)8-9-23(22)32-2/h3-9,16-17,26H,10-15H2,1-2H3
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1.76n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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1.82n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed in HEK293 cells


Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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1.82n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic Alpha-1B receptor


Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.


J Med Chem 42: 4794-803 (1999)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
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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1.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.


J Med Chem 42: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099327
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(cc3c2=O)-c2ccccc2)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)19-17-22(18-7-3-2-4-8-18)33-23(19)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50023189
PNG
(CHEMBL3297829)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-39(24-25-9-4-3-5-10-25)32(44)14-8-13-31(43)37-26-15-16-30-27(23-26)33-34(48-30)35(45)42(36(46)38-33)22-19-40-17-20-41(21-18-40)28-11-6-7-12-29(28)47-2/h3-7,9-12,15-16,23H,8,13-14,17-22,24H2,1-2H3,(H,37,43)(H,38,46)
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1b receptor expressed in HEK293 cells


Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50417541
PNG
(CHEMBL1630938)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O
Show InChI InChI=1S/C21H30N2O5S/c1-15(2)28-19-8-6-5-7-18(19)27-12-11-23-16(3)13-17-9-10-20(26-4)21(14-17)29(22,24)25/h5-10,14-16,23H,11-13H2,1-4H3,(H2,22,24,25)/t16-/m1/s1
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1.91n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells


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


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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1.92n/an/an/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligand


J Med Chem 43: 2183-95 (2000)


Article DOI: 10.1021/jm9905918
BindingDB Entry DOI: 10.7270/Q2XW4J20
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86846
PNG
(CAS_106133-20-4 | NSC_60147 | Tamsulosin)
Show SMILES CCOc1ccccc1OCCNC(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)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1b receptor


Bioorg Med Chem Lett 17: 3930-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.098
BindingDB Entry DOI: 10.7270/Q2639PF1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1B receptor


Bioorg Med Chem Lett 17: 3292-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.008
BindingDB Entry DOI: 10.7270/Q2PG1RDH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101661
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C24H29N5O2/c1-27-24(30)21(18-20(26-27)19-8-4-3-5-9-19)25-12-13-28-14-16-29(17-15-28)22-10-6-7-11-23(22)31-2/h3-11,18,25H,12-17H2,1-2H3
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2.01n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101656
PNG
(4-{3-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C25H30ClN5O2/c1-29-25(32)22(18-21(28-29)19-7-4-3-5-8-19)27-11-6-12-30-13-15-31(16-14-30)23-17-20(26)9-10-24(23)33-2/h3-5,7-10,17-18,27H,6,11-16H2,1-2H3
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2.01n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50417542
PNG
(CHEMBL1630939)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
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2.09n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells


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


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


(Rattus norvegicus (rat))
BDBM50115121
PNG
(CHEMBL3609359)
Show SMILES C(CN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H31N3/c1-2-7-22-19-28(17-10-20(22)6-1)14-5-13-27-15-11-21(12-16-27)24-18-26-25-9-4-3-8-23(24)25/h1-4,6-9,18,21,26H,5,10-17,19H2
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2.10n/an/an/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1B adrenoceptor in rat liver membranes


Bioorg Med Chem Lett 25: 3921-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.046
BindingDB Entry DOI: 10.7270/Q27M09Q4
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100231
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5sccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C21H23N3O3S/c1-27-18-4-2-3-14-15(18)6-5-13-11-23(12-17(13)14)8-9-24-20(25)16-7-10-28-19(16)22-21(24)26/h2-4,7,10,13,17H,5-6,8-9,11-12H2,1H3,(H,22,26)/t13-,17+/m0/s1
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2.11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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2.19n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


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


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100235
PNG
(8-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)cccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H27N3O4/c1-30-20-7-3-5-16-17(20)10-9-15-13-26(14-19(15)16)11-12-27-23(28)18-6-4-8-21(31-2)22(18)25-24(27)29/h3-8,15,19H,9-14H2,1-2H3,(H,25,29)/t15-,19+/m0/s1
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2.27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
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