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PubMed code 12873501

Compile data set for download or QSAR
Found 110 hits of Enzyme Inhibition Constant Data   
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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131348
PNG
(7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131365
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-enyl)-piper...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131350
PNG
(8-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-23-21(16-20)25-22(18-30-23)24(31-26-25)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131365
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-enyl)-piper...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+
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1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131354
PNG
(7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131348
PNG
(7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131366
PNG
(7,8-Dimethoxy-3-[4-(3-phenyl-propyl)-piperazin-1-y...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H33N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,25H,6,9-14,17-18H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50057128
PNG
((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131350
PNG
(8-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-23-21(16-20)25-22(18-30-23)24(31-26-25)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50057128
PNG
((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131354
PNG
(7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131364
PNG
(7,8-Dimethoxy-3-(4-naphthalen-1-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-12-10-30(11-13-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,14-15,23,27H,10-13,16-18H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50057128
PNG
((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131356
PNG
(3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7...)
Show SMILES COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131356
PNG
(3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7...)
Show SMILES COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131354
PNG
(7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131368
PNG
(3-(4-Benzo[b]thiophen-2-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-12-19-21(13-23(22)31-2)32-16-20-24(33-27-26(19)20)15-29-9-7-28(8-10-29)14-18-11-17-5-3-4-6-25(17)34-18/h3-6,11-13,20,24H,7-10,14-16H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131358
PNG
(3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O5/c1-31-23-14-19-22(15-24(23)32-2)33-17-20-25(34-27-26(19)20)16-29-12-10-28(11-13-29)9-8-21(30)18-6-4-3-5-7-18/h3-7,14-15,20,25H,8-13,16-17H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131355
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+
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6.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131352
PNG
(3-(4-Benzo[b]thiophen-3-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-11-19-21(12-23(22)31-2)32-15-20-24(33-27-26(19)20)14-29-9-7-28(8-10-29)13-17-16-34-25-6-4-3-5-18(17)25/h3-6,11-12,16,20,24H,7-10,13-15H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
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7.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131367
PNG
(7,8-Dimethoxy-3-(4-quinolin-6-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-13-20-23(14-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-10-8-30(9-11-31)15-18-5-6-22-19(12-18)4-3-7-28-22/h3-7,12-14,21,26H,8-11,15-17H2,1-2H3
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8.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131355
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+
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8.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131355
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+
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8.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131349
PNG
((R)-7,8-Dimethoxy-3-[4-((Z)-3-phenyl-allyl)-pipera...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6-/t21-,25-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131365
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-enyl)-piper...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131366
PNG
(7,8-Dimethoxy-3-[4-(3-phenyl-propyl)-piperazin-1-y...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H33N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,25H,6,9-14,17-18H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50057128
PNG
((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131358
PNG
(3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O5/c1-31-23-14-19-22(15-24(23)32-2)33-17-20-25(34-27-26(19)20)16-29-12-10-28(11-13-29)9-8-21(30)18-6-4-3-5-7-18/h3-7,14-15,20,25H,8-13,16-17H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131350
PNG
(8-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-23-21(16-20)25-22(18-30-23)24(31-26-25)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131352
PNG
(3-(4-Benzo[b]thiophen-3-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-11-19-21(12-23(22)31-2)32-15-20-24(33-27-26(19)20)14-29-9-7-28(8-10-29)13-17-16-34-25-6-4-3-5-18(17)25/h3-6,11-12,16,20,24H,7-10,13-15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131361
PNG
(7,8-Dimethoxy-3-(4-quinolin-3-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-12-20-23(13-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-9-7-30(8-10-31)15-18-11-19-5-3-4-6-22(19)28-14-18/h3-6,11-14,21,26H,7-10,15-17H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131350
PNG
(8-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-23-21(16-20)25-22(18-30-23)24(31-26-25)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131348
PNG
(7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131348
PNG
(7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-yl...)
Show SMILES COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1
Show InChI InChI=1S/C25H29N3O3/c1-29-20-9-10-21-23(16-20)30-18-22-24(31-26-25(21)22)17-28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16,22,24H,11-15,17-18H2,1H3/b8-5+
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131356
PNG
(3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7...)
Show SMILES COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131349
PNG
((R)-7,8-Dimethoxy-3-[4-((Z)-3-phenyl-allyl)-pipera...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6-/t21-,25-/m0/s1
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131366
PNG
(7,8-Dimethoxy-3-[4-(3-phenyl-propyl)-piperazin-1-y...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H33N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,25H,6,9-14,17-18H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131361
PNG
(7,8-Dimethoxy-3-(4-quinolin-3-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-12-20-23(13-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-9-7-30(8-10-31)15-18-11-19-5-3-4-6-22(19)28-14-18/h3-6,11-14,21,26H,7-10,15-17H2,1-2H3
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131365
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-enyl)-piper...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+
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31n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131361
PNG
(7,8-Dimethoxy-3-(4-quinolin-3-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-12-20-23(13-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-9-7-30(8-10-31)15-18-11-19-5-3-4-6-22(19)28-14-18/h3-6,11-14,21,26H,7-10,15-17H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131349
PNG
((R)-7,8-Dimethoxy-3-[4-((Z)-3-phenyl-allyl)-pipera...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6-/t21-,25-/m0/s1
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35n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131367
PNG
(7,8-Dimethoxy-3-(4-quinolin-6-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-13-20-23(14-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-10-8-30(9-11-31)15-18-5-6-22-19(12-18)4-3-7-28-22/h3-7,12-14,21,26H,8-11,15-17H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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42n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131366
PNG
(7,8-Dimethoxy-3-[4-(3-phenyl-propyl)-piperazin-1-y...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H33N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,21,25H,6,9-14,17-18H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131355
PNG
(7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+
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42n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131354
PNG
(7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131352
PNG
(3-(4-Benzo[b]thiophen-3-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-11-19-21(12-23(22)31-2)32-15-20-24(33-27-26(19)20)14-29-9-7-28(8-10-29)13-17-16-34-25-6-4-3-5-18(17)25/h3-6,11-12,16,20,24H,7-10,13-15H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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77n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131362
PNG
(7,8-Dimethoxy-3-(4-phenethyl-piperazin-1-ylmethyl)...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4/c1-29-22-14-19-21(15-23(22)30-2)31-17-20-24(32-26-25(19)20)16-28-12-10-27(11-13-28)9-8-18-6-4-3-5-7-18/h3-7,14-15,20,24H,8-13,16-17H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131364
PNG
(7,8-Dimethoxy-3-(4-naphthalen-1-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-12-10-30(11-13-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,14-15,23,27H,10-13,16-18H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131368
PNG
(3-(4-Benzo[b]thiophen-2-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-12-19-21(13-23(22)31-2)32-16-20-24(33-27-26(19)20)15-29-9-7-28(8-10-29)14-18-11-17-5-3-4-6-25(17)34-18/h3-6,11-13,20,24H,7-10,14-16H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131363
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-7,8-dimethoxy-3a...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29N3O4/c1-28-21-12-18-20(13-22(21)29-2)30-16-19-23(31-25-24(18)19)15-27-10-8-26(9-11-27)14-17-6-4-3-5-7-17/h3-7,12-13,19,23H,8-11,14-16H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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93n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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95n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131368
PNG
(3-(4-Benzo[b]thiophen-2-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-12-19-21(13-23(22)31-2)32-16-20-24(33-27-26(19)20)15-29-9-7-28(8-10-29)14-18-11-17-5-3-4-6-25(17)34-18/h3-6,11-13,20,24H,7-10,14-16H2,1-2H3
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98n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131367
PNG
(7,8-Dimethoxy-3-(4-quinolin-6-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-13-20-23(14-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-10-8-30(9-11-31)15-18-5-6-22-19(12-18)4-3-7-28-22/h3-7,12-14,21,26H,8-11,15-17H2,1-2H3
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117n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131358
PNG
(3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O5/c1-31-23-14-19-22(15-24(23)32-2)33-17-20-25(34-27-26(19)20)16-29-12-10-28(11-13-29)9-8-21(30)18-6-4-3-5-7-18/h3-7,14-15,20,25H,8-13,16-17H2,1-2H3
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123n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131363
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-7,8-dimethoxy-3a...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29N3O4/c1-28-21-12-18-20(13-22(21)29-2)30-16-19-23(31-25-24(18)19)15-27-10-8-26(9-11-27)14-17-6-4-3-5-7-17/h3-7,12-13,19,23H,8-11,14-16H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131363
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-7,8-dimethoxy-3a...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29N3O4/c1-28-21-12-18-20(13-22(21)29-2)30-16-19-23(31-25-24(18)19)15-27-10-8-26(9-11-27)14-17-6-4-3-5-7-17/h3-7,12-13,19,23H,8-11,14-16H2,1-2H3
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186n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50131362
PNG
(7,8-Dimethoxy-3-(4-phenethyl-piperazin-1-ylmethyl)...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4/c1-29-22-14-19-21(15-23(22)30-2)31-17-20-24(32-26-25(19)20)16-28-12-10-27(11-13-28)9-8-18-6-4-3-5-7-18/h3-7,14-15,20,24H,8-13,16-17H2,1-2H3
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199n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131364
PNG
(7,8-Dimethoxy-3-(4-naphthalen-1-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-12-10-30(11-13-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,14-15,23,27H,10-13,16-18H2,1-2H3
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234n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131362
PNG
(7,8-Dimethoxy-3-(4-phenethyl-piperazin-1-ylmethyl)...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4/c1-29-22-14-19-21(15-23(22)30-2)31-17-20-24(32-26-25(19)20)16-28-12-10-27(11-13-28)9-8-18-6-4-3-5-7-18/h3-7,14-15,20,24H,8-13,16-17H2,1-2H3
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234n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131356
PNG
(3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7...)
Show SMILES COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
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315n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131352
PNG
(3-(4-Benzo[b]thiophen-3-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-11-19-21(12-23(22)31-2)32-15-20-24(33-27-26(19)20)14-29-9-7-28(8-10-29)13-17-16-34-25-6-4-3-5-18(17)25/h3-6,11-12,16,20,24H,7-10,13-15H2,1-2H3
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370n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat serotonin transporter


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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405n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131367
PNG
(7,8-Dimethoxy-3-(4-quinolin-6-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-13-20-23(14-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-10-8-30(9-11-31)15-18-5-6-22-19(12-18)4-3-7-28-22/h3-7,12-14,21,26H,8-11,15-17H2,1-2H3
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721n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131363
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-7,8-dimethoxy-3a...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29N3O4/c1-28-21-12-18-20(13-22(21)29-2)30-16-19-23(31-25-24(18)19)15-27-10-8-26(9-11-27)14-17-6-4-3-5-7-17/h3-7,12-13,19,23H,8-11,14-16H2,1-2H3
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995n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131362
PNG
(7,8-Dimethoxy-3-(4-phenethyl-piperazin-1-ylmethyl)...)
Show SMILES COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4/c1-29-22-14-19-21(15-23(22)30-2)31-17-20-24(32-26-25(19)20)16-28-12-10-27(11-13-28)9-8-18-6-4-3-5-7-18/h3-7,14-15,20,24H,8-13,16-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131361
PNG
(7,8-Dimethoxy-3-(4-quinolin-3-ylmethyl-piperazin-1...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H30N4O4/c1-32-24-12-20-23(13-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-9-7-30(8-10-31)15-18-11-19-5-3-4-6-22(19)28-14-18/h3-6,11-14,21,26H,7-10,15-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131364
PNG
(7,8-Dimethoxy-3-(4-naphthalen-1-ylmethyl-piperazin...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-12-10-30(11-13-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,14-15,23,27H,10-13,16-18H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131368
PNG
(3-(4-Benzo[b]thiophen-2-ylmethyl-piperazin-1-ylmet...)
Show SMILES COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-30-22-12-19-21(13-23(22)31-2)32-16-20-24(33-27-26(19)20)15-29-9-7-28(8-10-29)14-18-11-17-5-3-4-6-25(17)34-18/h3-6,11-13,20,24H,7-10,14-16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%