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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'jolliffe' and Initial = 'lk'   
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))
BDBM50116208
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H31N3O2S/c1-18(2)28-22-7-4-3-6-21(22)25-12-10-24(11-13-25)16-20-14-19(17-29-20)15-26-9-5-8-23(26)27/h3-4,6-7,14,17-18H,5,8-13,15-16H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50029275
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116204
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-13-11-25(12-14-26)17-21-15-20(18-30-21)16-27-10-6-5-9-24(27)28/h3-4,7-8,15,18-19H,5-6,9-14,16-17H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116936
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116940
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116928
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116209
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1
Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50029266
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
Show InChI InChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)17-20-15-19(24-30-20)16-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3
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8.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116210
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
Show InChI InChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10H,4-5,8,11-17H2,1H3
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116206
PNG
((S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethy...)
Show SMILES COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C23H31N3O3S/c1-28-22-8-4-3-6-20(22)25-14-12-24(13-15-25)16-18-9-10-19(30-18)17-26-11-5-7-21(26)23(27)29-2/h3-4,6,8-10,21H,5,7,11-17H2,1-2H3/t21-/m0/s1
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116207
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1
Show InChI InChI=1S/C23H31N3O2S/c1-28-22-8-5-4-7-21(22)25-15-13-24(14-16-25)17-19-10-11-20(29-19)18-26-12-6-2-3-9-23(26)27/h4-5,7-8,10-11H,2-3,6,9,12-18H2,1H3
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13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116210
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
Show InChI InChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10H,4-5,8,11-17H2,1H3
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116938
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2
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15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116206
PNG
((S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethy...)
Show SMILES COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C23H31N3O3S/c1-28-22-8-4-3-6-20(22)25-14-12-24(13-15-25)16-18-9-10-19(30-18)17-26-11-5-7-21(26)23(27)29-2/h3-4,6,8-10,21H,5,7,11-17H2,1-2H3/t21-/m0/s1
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15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116207
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1
Show InChI InChI=1S/C23H31N3O2S/c1-28-22-8-5-4-7-21(22)25-15-13-24(14-16-25)17-19-10-11-20(29-19)18-26-12-6-2-3-9-23(26)27/h4-5,7-8,10-11H,2-3,6,9,12-18H2,1H3
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18n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50029275
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116203
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1
Show InChI InChI=1S/C21H27N3O2S/c1-26-20-6-3-2-5-19(20)23-13-11-22(12-14-23)15-17-8-9-18(27-17)16-24-10-4-7-21(24)25/h2-3,5-6,8-9H,4,7,10-16H2,1H3
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116208
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H31N3O2S/c1-18(2)28-22-7-4-3-6-21(22)25-12-10-24(11-13-25)16-20-14-19(17-29-20)15-26-9-5-8-23(26)27/h3-4,6-7,14,17-18H,5,8-13,15-16H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116937
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C25H28N4O3/c30-25-11-6-12-29(25)18-20-17-22(32-26-20)19-27-13-15-28(16-14-27)23-9-4-5-10-24(23)31-21-7-2-1-3-8-21/h1-5,7-10,17H,6,11-16,18-19H2
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28n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116937
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C25H28N4O3/c30-25-11-6-12-29(25)18-20-17-22(32-26-20)19-27-13-15-28(16-14-27)23-9-4-5-10-24(23)31-21-7-2-1-3-8-21/h1-5,7-10,17H,6,11-16,18-19H2
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35n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116203
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1
Show InChI InChI=1S/C21H27N3O2S/c1-26-20-6-3-2-5-19(20)23-13-11-22(12-14-23)15-17-8-9-18(27-17)16-24-10-4-7-21(24)25/h2-3,5-6,8-9H,4,7,10-16H2,1H3
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116928
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116209
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1
Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116940
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116935
PNG
(8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1
Show InChI InChI=1S/C27H36N4O4/c1-20(2)35-23-8-4-3-7-22(23)30-13-11-29(12-14-30)18-24-28-21(19-34-24)17-31-25(32)15-27(16-26(31)33)9-5-6-10-27/h3-4,7-8,19-20H,5-6,9-18H2,1-2H3
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82n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116931
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2
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86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116204
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-13-11-25(12-14-26)17-21-15-20(18-30-21)16-27-10-6-5-9-24(27)28/h3-4,7-8,15,18-19H,5-6,9-14,16-17H2,1-2H3
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92n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116205
PNG
(1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
Show InChI InChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3
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92n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116936
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
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105n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116205
PNG
(1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
Show InChI InChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3
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128n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116202
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1
Show InChI InChI=1S/C22H31N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10,22,26H,4-5,8,11-17H2,1H3
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130n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116201
PNG
(CHEMBL302495 | {5-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1
Show InChI InChI=1S/C17H22N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,20H,8-13H2,1H3
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138n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116938
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2
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170n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116201
PNG
(CHEMBL302495 | {5-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1
Show InChI InChI=1S/C17H22N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,20H,8-13H2,1H3
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202n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116208
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H31N3O2S/c1-18(2)28-22-7-4-3-6-21(22)25-12-10-24(11-13-25)16-20-14-19(17-29-20)15-26-9-5-8-23(26)27/h3-4,6-7,14,17-18H,5,8-13,15-16H2,1-2H3
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259n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116212
PNG
(5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thio...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
Show InChI InChI=1S/C17H20N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,13H,8-12H2,1H3
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262n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116931
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2
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285n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116939
PNG
(2-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-18(2)34-23-10-6-5-9-22(23)29-13-11-28(12-14-29)16-24-27-19(17-33-24)15-30-25(31)20-7-3-4-8-21(20)26(30)32/h3-10,17-18H,11-16H2,1-2H3
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297n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116200
PNG
(CHEMBL303485 | {5-[4-(2-Propoxy-phenyl)-piperazin-...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
Show InChI InChI=1S/C19H26N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-9-7-20(8-10-21)12-17-11-16(13-22)14-24-17/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
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331n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116200
PNG
(CHEMBL303485 | {5-[4-(2-Propoxy-phenyl)-piperazin-...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
Show InChI InChI=1S/C19H26N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-9-7-20(8-10-21)12-17-11-16(13-22)14-24-17/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
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339n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116204
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-13-11-25(12-14-26)17-21-15-20(18-30-21)16-27-10-6-5-9-24(27)28/h3-4,7-8,15,18-19H,5-6,9-14,16-17H2,1-2H3
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384n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50029275
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3
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413n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116202
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1
Show InChI InChI=1S/C22H31N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10,22,26H,4-5,8,11-17H2,1H3
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419n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116212
PNG
(5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thio...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
Show InChI InChI=1S/C17H20N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,13H,8-12H2,1H3
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578n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116206
PNG
((S)-1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethy...)
Show SMILES COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C23H31N3O3S/c1-28-22-8-4-3-6-20(22)25-14-12-24(13-15-25)16-18-9-10-19(30-18)17-26-11-5-7-21(26)23(27)29-2/h3-4,6,8-10,21H,5,7,11-17H2,1-2H3/t21-/m0/s1
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592n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116209
PNG
(1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1
Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3
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615n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116205
PNG
(1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
Show InChI InChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3
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757n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116201
PNG
(CHEMBL302495 | {5-[4-(2-Methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1
Show InChI InChI=1S/C17H22N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,20H,8-13H2,1H3
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1.06E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116939
PNG
(2-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-18(2)34-23-10-6-5-9-22(23)29-13-11-28(12-14-29)16-24-27-19(17-33-24)15-30-25(31)20-7-3-4-8-21(20)26(30)32/h3-10,17-18H,11-16H2,1-2H3
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1.11E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116934
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)29-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-28-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
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