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Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for entry = 50042186   
Target/Host
(Institution)
LigandTarget/Host
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-1A adrenergic receptor


(Homo sapiens (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 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1D 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 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1D 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 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222903
PNG
(CHEMBL17776)
Show SMILES CCCn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H20N6/c1-2-9-21-15(19-11-20-21)12-5-3-4-6-13(12)18-10-14-16-7-8-17-14/h3-6,11,18H,2,7-10H2,1H3,(H,16,17)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222924
PNG
(CHEMBL17819)
Show SMILES Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1
Show InChI InChI=1S/C14H18N6/c1-10-18-14(20(2)19-10)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,17H,7-9H2,1-2H3,(H,15,16)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222909
PNG
(CHEMBL276733)
Show SMILES CCn1cc(cn1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H19N5/c1-2-20-11-12(9-19-20)13-5-3-4-6-14(13)18-10-15-16-7-8-17-15/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222910
PNG
(CHEMBL17491)
Show SMILES C(Nc1ccccc1-c1nc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C12H14N6/c1-2-4-10(15-7-11-13-5-6-14-11)9(3-1)12-16-8-17-18-12/h1-4,8,15H,5-7H2,(H,13,14)(H,16,17,18)
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222933
PNG
(CHEMBL275386)
Show SMILES CCCn1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-2-11-21-15(7-8-20-21)13-5-3-4-6-14(13)19-12-16-17-9-10-18-16/h3-8,19H,2,9-12H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222929
PNG
(CHEMBL275902)
Show SMILES CCn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H20N4/c1-2-20-11-5-8-15(20)13-6-3-4-7-14(13)19-12-16-17-9-10-18-16/h3-8,11,19H,2,9-10,12H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222932
PNG
(CHEMBL18256)
Show SMILES Cn1ccnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-8-17-14(19)11-4-2-3-5-12(11)18-10-13-15-6-7-16-13/h2-5,8-9,18H,6-7,10H2,1H3,(H,15,16)
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222931
PNG
(CHEMBL441412)
Show SMILES Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C
Show InChI InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration showing agonistic activity towards Human alpha-1A adrenergic receptor, expressed in rat 1 fibroblast cells was determined


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222924
PNG
(CHEMBL17819)
Show SMILES Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1
Show InChI InChI=1S/C14H18N6/c1-10-18-14(20(2)19-10)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,17H,7-9H2,1-2H3,(H,15,16)
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222926
PNG
(CHEMBL17764)
Show SMILES FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H15F3N6/c15-14(16,17)8-23-13(21-9-22-23)10-3-1-2-4-11(10)20-7-12-18-5-6-19-12/h1-4,9,20H,5-8H2,(H,18,19)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222929
PNG
(CHEMBL275902)
Show SMILES CCn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H20N4/c1-2-20-11-5-8-15(20)13-6-3-4-7-14(13)19-12-16-17-9-10-18-16/h3-8,11,19H,2,9-10,12H2,1H3,(H,17,18)
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222931
PNG
(CHEMBL441412)
Show SMILES Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C
Show InChI InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222932
PNG
(CHEMBL18256)
Show SMILES Cn1ccnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-8-17-14(19)11-4-2-3-5-12(11)18-10-13-15-6-7-16-13/h2-5,8-9,18H,6-7,10H2,1H3,(H,15,16)
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222933
PNG
(CHEMBL275386)
Show SMILES CCCn1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-2-11-21-15(7-8-20-21)13-5-3-4-6-14(13)19-12-16-17-9-10-18-16/h3-8,19H,2,9-12H2,1H3,(H,17,18)
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n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222911
PNG
(CHEMBL18436)
Show SMILES CCCCn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H22N6/c1-2-3-10-22-16(20-12-21-22)13-6-4-5-7-14(13)19-11-15-17-8-9-18-15/h4-7,12,19H,2-3,8-11H2,1H3,(H,17,18)
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (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/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (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/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of T-cell proliferation was determined by a human T-cell assay


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of T-cell proliferation was determined by a human T-cell assay


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DiTc binding to Kv1.3 channel in human brain membranes


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222931
PNG
(CHEMBL441412)
Show SMILES Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C
Show InChI InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of T-cell proliferation was determined by a human T-cell assay


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222911
PNG
(CHEMBL18436)
Show SMILES CCCCn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H22N6/c1-2-3-10-22-16(20-12-21-22)13-6-4-5-7-14(13)19-11-15-17-8-9-18-15/h4-7,12,19H,2-3,8-11H2,1H3,(H,17,18)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222932
PNG
(CHEMBL18256)
Show SMILES Cn1ccnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-8-17-14(19)11-4-2-3-5-12(11)18-10-13-15-6-7-16-13/h2-5,8-9,18H,6-7,10H2,1H3,(H,15,16)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222933
PNG
(CHEMBL275386)
Show SMILES CCCn1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-2-11-21-15(7-8-20-21)13-5-3-4-6-14(13)19-12-16-17-9-10-18-16/h3-8,19H,2,9-12H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222929
PNG
(CHEMBL275902)
Show SMILES CCn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H20N4/c1-2-20-11-5-8-15(20)13-6-3-4-7-14(13)19-12-16-17-9-10-18-16/h3-8,11,19H,2,9-10,12H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (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/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222935
PNG
(CHEMBL275844)
Show SMILES C(Nc1ccccc1-c1cn[nH]c1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-12(16-9-13-14-5-6-15-13)11(3-1)10-7-17-18-8-10/h1-4,7-8,16H,5-6,9H2,(H,14,15)(H,17,18)
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n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222934
PNG
(CHEMBL17492)
Show SMILES Cn1cccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H18N4/c1-19-10-4-7-14(19)12-5-2-3-6-13(12)18-11-15-16-8-9-17-15/h2-7,10,18H,8-9,11H2,1H3,(H,16,17)
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222911
PNG
(CHEMBL18436)
Show SMILES CCCCn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H22N6/c1-2-3-10-22-16(20-12-21-22)13-6-4-5-7-14(13)19-11-15-17-8-9-18-15/h4-7,12,19H,2-3,8-11H2,1H3,(H,17,18)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222927
PNG
(CHEMBL17657)
Show SMILES Cc1n[nH]c(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H16N6/c1-9-17-13(19-18-9)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,16H,6-8H2,1H3,(H,14,15)(H,17,18,19)
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222923
PNG
(CHEMBL17221)
Show SMILES CCn1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H19N5/c1-2-20-14(7-8-19-20)12-5-3-4-6-13(12)18-11-15-16-9-10-17-15/h3-8,18H,2,9-11H2,1H3,(H,16,17)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222930
PNG
(CHEMBL17151)
Show SMILES CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H20N6/c1-11(2)21-15(19-10-20-21)12-5-3-4-6-13(12)18-9-14-16-7-8-17-14/h3-6,10-11,18H,7-9H2,1-2H3,(H,16,17)
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50222928
PNG
(CHEMBL273312)
Show SMILES Cn1cc(cn1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-10-11(8-18-19)12-4-2-3-5-13(12)17-9-14-15-6-7-16-14/h2-5,8,10,17H,6-7,9H2,1H3,(H,15,16)
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222930
PNG
(CHEMBL17151)
Show SMILES CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H20N6/c1-11(2)21-15(19-10-20-21)12-5-3-4-6-13(12)18-9-14-16-7-8-17-14/h3-6,10-11,18H,7-9H2,1-2H3,(H,16,17)
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n/an/an/an/a 3.16E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222910
PNG
(CHEMBL17491)
Show SMILES C(Nc1ccccc1-c1nc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C12H14N6/c1-2-4-10(15-7-11-13-5-6-14-11)9(3-1)12-16-8-17-18-12/h1-4,8,15H,5-7H2,(H,13,14)(H,16,17,18)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222924
PNG
(CHEMBL17819)
Show SMILES Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1
Show InChI InChI=1S/C14H18N6/c1-10-18-14(20(2)19-10)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,17H,7-9H2,1-2H3,(H,15,16)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222909
PNG
(CHEMBL276733)
Show SMILES CCn1cc(cn1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H19N5/c1-2-20-11-12(9-19-20)13-5-3-4-6-14(13)18-10-15-16-7-8-17-15/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222926
PNG
(CHEMBL17764)
Show SMILES FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H15F3N6/c15-14(16,17)8-23-13(21-9-22-23)10-3-1-2-4-11(10)20-7-12-18-5-6-19-12/h1-4,9,20H,5-8H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222926
PNG
(CHEMBL17764)
Show SMILES FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H15F3N6/c15-14(16,17)8-23-13(21-9-22-23)10-3-1-2-4-11(10)20-7-12-18-5-6-19-12/h1-4,9,20H,5-8H2,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50222935
PNG
(CHEMBL275844)
Show SMILES C(Nc1ccccc1-c1cn[nH]c1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-12(16-9-13-14-5-6-15-13)11(3-1)10-7-17-18-8-10/h1-4,7-8,16H,5-6,9H2,(H,14,15)(H,17,18)
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


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


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
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