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Compile Data Set for Download or QSAR

Found 1295 hits of ki data for polymerid = 11048   
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
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.0600n/an/an/an/an/an/an/an/a



Institut de Recherches Servier, Centre de Recherches de Croissy

Curated by PDSP Ki Database




Synapse 35: 79-95 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2
BindingDB Entry DOI: 10.7270/Q2XK8D4N
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091350
PNG
(CHEMBL3582270)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(nn3)C(=O)N3CCN(CC3)c3nc(N)c4cc(OC)c(OC)cc4n3)c(=O)oc2c1
Show InChI InChI=1S/C30H33N9O5/c1-5-36(6-2)19-8-7-18-13-23(29(41)44-24(18)14-19)39-17-22(34-35-39)28(40)37-9-11-38(12-10-37)30-32-21-16-26(43-4)25(42-3)15-20(21)27(31)33-30/h7-8,13-17H,5-6,9-12H2,1-4H3,(H2,31,32,33)
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0.100n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033109
PNG
(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
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0.110n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033109
PNG
(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
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0.110n/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
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.210n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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))
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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0.210n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor


J Med Chem 38: 1579-81 (1995)


Article DOI: 10.1021/jm00010a001
BindingDB Entry DOI: 10.7270/Q25Q4WRJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.280n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.320n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B adrenergic receptor from human clone


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 alpha1B


(Homo sapiens (Human))
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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0.320n/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
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.324n/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))
BDBM50100216
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(csc5c4=O)-c4ccccc4)C[C@@H]3CCc12
Show InChI InChI=1S/C27H27N3O3S/c1-33-23-9-5-8-19-20(23)11-10-18-14-29(15-21(18)19)12-13-30-26(31)25-24(28-27(30)32)22(16-34-25)17-6-3-2-4-7-17/h2-9,16,18,21H,10-15H2,1H3,(H,28,32)/t18-,21+/m0/s1
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0.330n/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))
BDBM50414396
PNG
(CHEMBL564481)
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?/m0/s1
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0.417n/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))
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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0.420n/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))
BDBM50057463
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)
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0.450n/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))
BDBM50073570
PNG
(2-(4-Furan-2-yl-piperazin-1-yl)-6,7-dimethoxy-quin...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccco1
Show InChI InChI=1S/C18H21N5O3/c1-24-14-10-12-13(11-15(14)25-2)20-18(21-17(12)19)23-7-5-22(6-8-23)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)
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0.460n/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))
BDBM50416854
PNG
(CHEMBL1254582)
Show SMILES COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO4S/c1-27-23-13-8-14-24(28-2)25(23)31-18-16-26-15-17-29-21-11-6-7-12-22(21)30-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.501n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50416853
PNG
(CHEMBL43116)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.537n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.550n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.550n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 2843-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00484-9
BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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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0.600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2HX1B77
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.600n/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: 4778-93 (1999)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50026636
PNG
(17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic...)
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+/m1/s1
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0.600n/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
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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0.610n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1B adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.620n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 58-65 (2002)


BindingDB Entry DOI: 10.7270/Q2PG1Q9R
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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0.631n/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))
BDBM50101651
PNG
(5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
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0.640n/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))
BDBM50100221
PNG
(7,8-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahy...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O5/c1-31-20-6-4-5-16-17(20)8-7-15-13-27(14-19(15)16)11-12-28-24(29)18-9-10-21(32-2)23(33-3)22(18)26-25(28)30/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3,(H,26,30)/t15-,19+/m0/s1
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0.660n/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))
BDBM50100238
PNG
(7-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
Show InChI InChI=1S/C24H27N3O4/c1-30-16-7-9-19-21(12-16)25-24(29)27(23(19)28)11-10-26-13-15-6-8-18-17(20(15)14-26)4-3-5-22(18)31-2/h3-5,7,9,12,15,20H,6,8,10-11,13-14H2,1-2H3,(H,25,29)/t15-,20+/m0/s1
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0.660n/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))
BDBM50100210
PNG
(6-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
Show InChI InChI=1S/C22H25N3O4S/c1-28-18-5-3-4-14-15(18)7-6-13-11-24(12-16(13)14)8-9-25-21(26)20-17(23-22(25)27)10-19(29-2)30-20/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,23,27)/t13-,16+/m0/s1
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0.740n/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))
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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0.740n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B adrenergic receptor from human clone


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 alpha1B


(Homo sapiens (Human))
BDBM50101654
PNG
(5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.75n/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))
BDBM50416857
PNG
(CHEMBL1254742)
Show SMILES CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C27H33NO5/c1-3-29-25-15-10-16-26(30-4-2)27(25)32-20-18-28-17-19-31-23-13-8-9-14-24(23)33-21-22-11-6-5-7-12-22/h5-16,28H,3-4,17-21H2,1-2H3
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0.794n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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0.813n/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))
BDBM50023188
PNG
(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
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0.832n/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))
BDBM50100220
PNG
(CHEMBL61598 | N-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hex...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H28N4O4/c1-15(30)26-17-7-9-20-22(12-17)27-25(32)29(24(20)31)11-10-28-13-16-6-8-19-18(21(16)14-28)4-3-5-23(19)33-2/h3-5,7,9,12,16,21H,6,8,10-11,13-14H2,1-2H3,(H,26,30)(H,27,32)/t16-,21+/m0/s1
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0.840n/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))
BDBM50100219
PNG
(5-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(Cl)c5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C23H24ClN3O3/c1-30-20-7-2-4-15-16(20)9-8-14-12-26(13-17(14)15)10-11-27-22(28)21-18(24)5-3-6-19(21)25-23(27)29/h2-7,14,17H,8-13H2,1H3,(H,25,29)/t14-,17+/m0/s1
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0.920n/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))
BDBM50414399
PNG
(CHEMBL561851)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H35N5O5/c1-31(26(33)24-17-36-20-11-7-8-12-21(20)37-24)13-9-5-6-10-14-32(2)27-29-19-16-23(35-4)22(34-3)15-18(19)25(28)30-27/h7-8,11-12,15-16,24H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)
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0.933n/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))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.960n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1b receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1646-50 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.111
BindingDB Entry DOI: 10.7270/Q2PG1RC2
More data for this
Ligand-Target Pair
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
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
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)


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 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
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