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Compile Data Set for Download or QSAR

Found 1682 hits Enz. Inhib. hit(s) with Target = 'Alpha-1b adrenergic receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.190n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.851n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


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


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


(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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n/an/a 1.20n/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...


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


(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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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned hamster Alpha-1B adrenergic receptor


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


(HUMAN)
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype


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


(HUMAN)
BDBM50091352
PNG
(CHEMBL3582268)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C24H23N5O6/c1-33-19-11-15-17(12-20(19)34-2)26-24(27-21(15)25)29-7-5-28(6-8-29)22(31)16-9-13-3-4-14(30)10-18(13)35-23(16)32/h3-4,9-12,30H,5-8H2,1-2H3,(H2,25,26,27)
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n/an/a<5n/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...


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


(HUMAN)
BDBM50091351
PNG
(CHEMBL3582269)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C26H24N8O6/c1-38-21-11-16-17(12-22(21)39-2)28-26(29-23(16)27)33-7-5-32(6-8-33)24(36)18-13-34(31-30-18)19-9-14-3-4-15(35)10-20(14)40-25(19)37/h3-4,9-13,35H,5-8H2,1-2H3,(H2,27,28,29)
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n/an/a<5n/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...


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


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



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


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


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


(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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n/an/a 8.80n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype.


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


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



Merck & Co.

Curated by ChEMBL


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


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


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



Merck & Co.

Curated by ChEMBL


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


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


(HUMAN)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 11n/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...


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


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



Merck & Co.

Curated by ChEMBL


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


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


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



Merck & Co.

Curated by ChEMBL


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


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


(HUMAN)
BDBM50091349
PNG
(CHEMBL3582271)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39)
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n/an/a 16n/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...


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


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



Pfizer Central Research

Curated by ChEMBL


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


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


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



Pfizer Central Research

Curated by ChEMBL


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


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


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



Pfizer Central Research

Curated by ChEMBL


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


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


(HUMAN)
BDBM50063908
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-pipe...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@@H](C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype.


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


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



Pfizer Central Research

Curated by ChEMBL


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


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


(HUMAN)
BDBM50091348
PNG
(CHEMBL3582272)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
Show InChI InChI=1S/C30H35N9O4/c1-5-37(6-2)21-8-7-19-13-24(29(40)43-25(19)14-21)39-18-20(34-35-39)17-36-9-11-38(12-10-36)30-32-23-16-27(42-4)26(41-3)15-22(23)28(31)33-30/h7-8,13-16,18H,5-6,9-12,17H2,1-4H3,(H2,31,32,33)
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n/an/a 52n/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...


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


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



Pfizer Central Research

Curated by ChEMBL


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


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


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



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


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


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


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



Pfizer Central Research

Curated by ChEMBL


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


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


(HUMAN)
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)

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


(HUMAN)
BDBM50421641
PNG
(CHEMBL277375)
Show SMILES C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)(H,17,18)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand binding to human Alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)

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


(HUMAN)
BDBM50421602
PNG
(CHEMBL351542)
Show SMILES CO\N=C\c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-17-16-8-10-4-2-3-5-11(10)15-9-12-13-6-7-14-12/h2-5,8,15H,6-7,9H2,1H3,(H,13,14)/b16-8+
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n/an/a 162n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)

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


(HUMAN)
BDBM50057486
PNG
(2-[1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihy...)
Show SMILES COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC
Show InChI InChI=1S/C30H34N4O6/c1-35-23-8-7-17(12-24(23)36-2)11-22-19-14-26(38-4)25(37-3)13-18(19)9-10-34(22)30-32-21-16-28(40-6)27(39-5)15-20(21)29(31)33-30/h7-8,12-16,22H,9-11H2,1-6H3,(H2,31,32,33)
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n/an/a 206n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned hamster Alpha-1B adrenergic receptor


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


(HUMAN)
BDBM50396184
PNG
(REDIOCIDE A)
Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1
Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
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n/an/a 215n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of adrenergic receptor 1b receptor expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based flu...


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


(HUMAN)
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/a 219n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1B-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)

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


(HUMAN)
BDBM50421598
PNG
(CHEMBL117381)
Show SMILES C(Nc1ccccc1-c1cnco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-8-13-15-5-6-16-13)10(3-1)12-7-14-9-18-12/h1-4,7,9,17H,5-6,8H2,(H,15,16)
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n/an/a 229n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)

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


(HUMAN)
BDBM50421593
PNG
(CHEMBL357129)
Show SMILES C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12-5-3-7-15-12/h1-7,15H,8-10H2,(H,16,17)
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n/an/a 269n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(HUMAN)
BDBM50421596
PNG
(CHEMBL154023)
Show SMILES Cc1ncoc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H16N4O/c1-10-14(19-9-18-10)11-4-2-3-5-12(11)17-8-13-15-6-7-16-13/h2-5,9,17H,6-8H2,1H3,(H,15,16)
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n/an/a 324n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)

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


(HUMAN)
BDBM50421640
PNG
(CHEMBL17851)
Show SMILES Cn1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-13(6-7-18-19)11-4-2-3-5-12(11)17-10-14-15-8-9-16-14/h2-7,17H,8-10H2,1H3,(H,15,16)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand binding to human Alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)

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


(HUMAN)
BDBM50421599
PNG
(CHEMBL155326)
Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
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n/an/a 447n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)

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


(HUMAN)
BDBM50115122
PNG
(CHEMBL3609360)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C25H30FN3/c26-22-6-7-23-24(17-27-25(23)16-22)20-9-13-28(14-10-20)11-3-12-29-15-8-19-4-1-2-5-21(19)18-29/h1-2,4-7,16-17,20,27H,3,8-15,18H2
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n/an/a 560n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1B adrenoceptor assessed as inhibition of norepinephrine-induced increase of intracellular calcium level by cell ba...


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

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


(HUMAN)
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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n/an/a 589n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)

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


(HUMAN)
BDBM50421512
PNG
(CHEMBL95523)
Show SMILES CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-13-12(17)9-4-2-3-5-10(9)16-8-11-14-6-7-15-11/h2-5,16H,6-8H2,1H3,(H,13,17)(H,14,15)
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n/an/a 692n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 2871-4 (2001)

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


(HUMAN)
BDBM50421578
PNG
(CHEMBL13789)
Show SMILES C(Oc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H16N2O/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
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n/an/a 741n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(HUMAN)
BDBM50421595
PNG
(CHEMBL143562)
Show SMILES Cc1ccoc1-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H16N2O2/c1-11-6-9-18-15(11)12-4-2-3-5-13(12)19-10-14-16-7-8-17-14/h2-6,9H,7-8,10H2,1H3,(H,16,17)
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n/an/a 776n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(HUMAN)
BDBM50421575
PNG
(CHEMBL118055)
Show SMILES CSc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C11H13N3S/c1-15-11-5-3-2-4-10(11)13-7-9-6-12-8-14-9/h2-6,8,13H,7H2,1H3,(H,12,14)
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n/an/a 891n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1B-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)

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


(HUMAN)
BDBM50421594
PNG
(CHEMBL356605)
Show SMILES C(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-6-14(19-11-15-17-8-9-18-15)13(5-1)12-4-3-7-16-10-12/h1-7,10H,8-9,11H2,(H,17,18)
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n/an/a 1.29E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

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


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



Warner-Lambert Company

Curated by ChEMBL


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


J Med Chem 42: 5181-7 (2000)

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


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



Merck & Co.

Curated by ChEMBL


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


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


(HUMAN)
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1B-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)

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


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



University of Bologna

Curated by ChEMBL


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


J Med Chem 44: 362-71 (2001)

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


(HUMAN)
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
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n/an/a 1.78E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 2871-4 (2001)

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


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



University of Bologna

Curated by ChEMBL


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


J Med Chem 44: 362-71 (2001)

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


(HUMAN)
BDBM50421515
PNG
(CHEMBL320419)
Show SMILES CCCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H22N4O/c1-2-3-8-18-15(20)12-6-4-5-7-13(12)19-11-14-16-9-10-17-14/h4-7,19H,2-3,8-11H2,1H3,(H,16,17)(H,18,20)
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n/an/a 1.95E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 2871-4 (2001)

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


(HUMAN)
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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n/an/a 2.04E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
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