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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50042178   
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))
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 28n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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 32n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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 35n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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 50n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D 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 54n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


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


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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 115n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D 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 257n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


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


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D 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 324n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


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


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D 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 417n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


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


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D 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 1.12E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


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


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421591
PNG
(CHEMBL344294)
Show SMILES Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-6-7-17-14(10-12)13-4-2-3-5-15(13)20-11-16-18-8-9-19-16/h2-7,10H,8-9,11H2,1H3,(H,18,19)
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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 Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50421591
PNG
(CHEMBL344294)
Show SMILES Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-6-7-17-14(10-12)13-4-2-3-5-15(13)20-11-16-18-8-9-19-16/h2-7,10H,8-9,11H2,1H3,(H,18,19)
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n/an/a 1.41E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


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


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (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
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421591
PNG
(CHEMBL344294)
Show SMILES Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-6-7-17-14(10-12)13-4-2-3-5-15(13)20-11-16-18-8-9-19-16/h2-7,10H,8-9,11H2,1H3,(H,18,19)
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n/an/a 2.46E+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
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000207
PNG
(CHEMBL142387)
Show SMILES C(Oc1ccccc1-c1ccns1)C1=NCCN1
Show InChI InChI=1S/C13H13N3OS/c1-2-4-11(17-9-13-14-7-8-15-13)10(3-1)12-5-6-16-18-12/h1-6H,7-9H2,(H,14,15)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000203
PNG
(CHEMBL342324)
Show SMILES Cc1cccc(n1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-5-4-7-14(19-12)13-6-2-3-8-15(13)20-11-16-17-9-10-18-16/h2-8H,9-11H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000205
PNG
(CHEMBL344551)
Show SMILES C(Oc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-12(18-9-13-14-7-8-15-13)10(3-1)11-5-6-16-17-11/h1-6H,7-9H2,(H,14,15)(H,16,17)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421591
PNG
(CHEMBL344294)
Show SMILES Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-6-7-17-14(10-12)13-4-2-3-5-15(13)20-11-16-18-8-9-19-16/h2-7,10H,8-9,11H2,1H3,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000208
PNG
(CHEMBL142871)
Show SMILES C(Oc1ccccc1-c1nccs1)C1=NCCN1
Show InChI InChI=1S/C13H13N3OS/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8H,5-6,9H2,(H,14,15)
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000217
PNG
(CHEMBL358802)
Show SMILES C(Oc1ccccc1-c1ncccn1)C1=NCCN1
Show InChI InChI=1S/C14H14N4O/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7H,8-10H2,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


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



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000218
PNG
(CHEMBL143973)
Show SMILES C(Oc1ccccc1-c1cnccn1)C1=NCCN1
Show InChI InChI=1S/C14H14N4O/c1-2-4-13(19-10-14-17-7-8-18-14)11(3-1)12-9-15-5-6-16-12/h1-6,9H,7-8,10H2,(H,17,18)
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000201
PNG
(CHEMBL141986)
Show SMILES Cc1cccnc1-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-5-4-8-19-16(12)13-6-2-3-7-14(13)20-11-15-17-9-10-18-15/h2-8H,9-11H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000212
PNG
(CHEMBL142864)
Show SMILES C(Oc1ccccc1-c1ncc[nH]1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(18-9-12-14-5-6-15-12)10(3-1)13-16-7-8-17-13/h1-4,7-8H,5-6,9H2,(H,14,15)(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000204
PNG
(CHEMBL344957)
Show SMILES Cc1csc(n1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C14H15N3OS/c1-10-9-19-14(17-10)11-4-2-3-5-12(11)18-8-13-15-6-7-16-13/h2-5,9H,6-8H2,1H3,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


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



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000216
PNG
(CHEMBL143801)
Show SMILES C(Oc1ccccc1-c1cccs1)C1=NCCN1
Show InChI InChI=1S/C14H14N2OS/c1-2-5-12(17-10-14-15-7-8-16-14)11(4-1)13-6-3-9-18-13/h1-6,9H,7-8,10H2,(H,15,16)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D 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/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000209
PNG
(CHEMBL144956)
Show SMILES C(Oc1ccccc1-c1ccncc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-4-14(19-11-15-17-9-10-18-15)13(3-1)12-5-7-16-8-6-12/h1-8H,9-11H2,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50421513
PNG
(CHEMBL421011)
Show SMILES CCN(CC)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H22N4O/c1-3-19(4-2)15(20)12-7-5-6-8-13(12)18-11-14-16-9-10-17-14/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000206
PNG
(CHEMBL143766)
Show SMILES Cc1cc(sn1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C14H15N3OS/c1-10-8-13(19-17-10)11-4-2-3-5-12(11)18-9-14-15-6-7-16-14/h2-5,8H,6-7,9H2,1H3,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000210
PNG
(CHEMBL422477)
Show SMILES C(Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2OS/c1-2-4-13(17-9-14-15-6-7-16-14)12(3-1)11-5-8-18-10-11/h1-5,8,10H,6-7,9H2,(H,15,16)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000197
PNG
(CHEMBL279136)
Show SMILES C(Oc1ccccc1-c1ccco1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-5-13(18-10-14-15-7-8-16-14)11(4-1)12-6-3-9-17-12/h1-6,9H,7-8,10H2,(H,15,16)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000196
PNG
(CHEMBL142310)
Show SMILES C(Oc1ccccc1-c1ccncn1)C1=NCCN1
Show InChI InChI=1S/C14H14N4O/c1-2-4-13(19-9-14-16-7-8-17-14)11(3-1)12-5-6-15-10-18-12/h1-6,10H,7-9H2,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (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/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
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n/an/an/an/a 0.5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000198
PNG
(CHEMBL142967)
Show SMILES Cn1nccc1-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C14H16N4O/c1-18-12(6-7-17-18)11-4-2-3-5-13(11)19-10-14-15-8-9-16-14/h2-7H,8-10H2,1H3,(H,15,16)
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000198
PNG
(CHEMBL142967)
Show SMILES Cn1nccc1-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C14H16N4O/c1-18-12(6-7-17-18)11-4-2-3-5-13(11)19-10-14-15-8-9-16-14/h2-7H,8-10H2,1H3,(H,15,16)
UniProtKB/SwissProt

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PC cid
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Article
PubMed
n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


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

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
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