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Compile Data Set for Download or QSAR

Found 363 hits Enz. Inhib. hit(s) with Target = 'Adrenergic alpha1B'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50470944
PNG
(CHEMBL336161)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2[C@@H](CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50474630
PNG
(CHEMBL108804)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O3S/c1-21(19,20)17-14-11-4-2-3-10(12-7-15-8-16-12)9(11)5-6-13(14)18/h5-8,10,17-18H,2-4H2,1H3,(H,15,16)
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n/an/an/an/a 229n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a 316n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a 316n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a 320n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 339n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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n/an/an/an/a 692n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50474654
PNG
(CHEMBL323402)
Show SMILES Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C13H15N3/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-7-15-8-16-13/h2-3,6-8,11H,1,4-5,14H2,(H,15,16)
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n/an/an/an/a 977n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50487266
PNG
(CHEMBL2261355)
Show SMILES CCS(=O)(=O)Nc1cccc2[C@@H](CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-14-8-4-5-11-12(14)6-3-7-13(11)15-9-16-10-17-15/h4-5,8-10,13,18H,2-3,6-7H2,1H3,(H,16,17)/t13-/m1/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50474671
PNG
(CHEMBL111554)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
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n/an/an/an/a 5.13E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/an/an/a 1.02E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | PHENYLE...)
Show SMILES CNC[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50474650
PNG
(CHEMBL111537)
Show SMILES CC(C)S(=O)(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C16H21N3O2S/c1-11(2)22(20,21)19-15-8-4-5-12-13(15)6-3-7-14(12)16-9-17-10-18-16/h4-5,8-11,14,19H,3,6-7H2,1-2H3,(H,17,18)
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n/an/an/an/a 1.41E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50474648
PNG
(CHEMBL109848)
Show SMILES CC(=O)Nc1cccc2C(CCCc12)c1c[nH]cn1
Show InChI InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)
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n/an/an/an/a 1.45E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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n/an/an/an/a 8.50E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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n/an/an/an/a 8.51E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50470943
PNG
(CHEMBL133451)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2[C@H](CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1
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n/an/an/an/a<1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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n/an/an/an/a 2.80E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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n/an/an/an/a 2.82E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.00900n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328497
PNG
((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
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0.0390n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328500
PNG
(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
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0.0810n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
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0.0880n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
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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0.100n/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
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328498
PNG
(1-Methyl-4-[8-(2-methyl-2H-tetrazol-5-ylmethyl)-10...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnn(C)n3)cc12
Show InChI InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-25-27(2)24-22/h3-8,13,19H,9-12,14-15H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
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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0.140n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


Article DOI: 10.1016/0922-4106(94)90065-5
BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
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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0.150n/an/an/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


J Med Chem 42: 5181-7 (2000)


Article DOI: 10.1021/jm990277d
BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328499
PNG
(1-Methyl-4-[8-(1-methyl-1H-tetrazol-5-ylmethyl)-10...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnnn3C)cc12
Show InChI InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-24-25-27(22)2/h3-8,13,19H,9-12,14-15H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
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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0.160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


Article DOI: 10.1016/s0014-2999(98)00104-6
BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
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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0.200n/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
ADRA1B


(C.H.O.)
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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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328482
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-4-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N4S/c1-25-9-11-27(12-10-25)21-14-18-5-3-4-6-22(18)28-23-8-7-17(13-20(21)23)19-15-24-26(2)16-19/h3-8,13,15-16,21H,9-12,14H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50487287
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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0.209n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha1B adrenoreceptor in Rattus norvegicus (rat) liver


Citation and Details

Article DOI: 10.1007/s00044-004-0024-8
BindingDB Entry DOI: 10.7270/Q29S1TXR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328481
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-3-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccn(C)n1
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-26(2)24-20/h3-10,15,21H,11-14,16H2,1-2H3
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0.25n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
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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0.25n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328486
PNG
(1-Methyl-4-(8-(pyridin-3-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H25N3S/c1-26-11-13-27(14-12-26)22-16-19-5-2-3-7-23(19)28-24-9-8-18(15-21(22)24)20-6-4-10-25-17-20/h2-10,15,17,22H,11-14,16H2,1H3
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0.260n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328505
PNG
((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328501
PNG
(CHEMBL1259145 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)
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0.310n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328480
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-5-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccnn1C
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-24-26(20)2/h3-10,15,21H,11-14,16H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis


Bioorg Med Chem 21: 196-204 (2012)


Article DOI: 10.1016/j.bmc.2012.10.049
BindingDB Entry DOI: 10.7270/Q2K938VN
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328479
PNG
(1-Methyl-4-(8-(1-methyl-1H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-23-24-26(21)2/h3-8,13,18H,9-12,14H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122817
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...)
Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H30FN7O2/c1-37-20-34-30(36-37)22-6-11-29-26(18-22)27(19-40(29)24-9-7-23(33)8-10-24)21-12-14-38(15-13-21)16-17-39-31(41)25-4-2-3-5-28(25)35-32(39)42/h2-11,18-21H,12-17H2,1H3,(H,35,42)
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0.390n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328489
PNG
(1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thie...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)23-18-21-9-5-6-10-24(21)28-25-12-11-20(17-22(23)25)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
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