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10 similar compounds to monomer 50024301

Compile data set for download or QSAR
Wt: 388.5
BDBM50024304
Wt: 448.5
BDBM50024302
Wt: 456.9
BDBM50024308
Wt: 462.5
BDBM50209684
Wt: 402.5
BDBM50320446
Wt: 462.5
BDBM50024313
Wt: 470.5
BDBM50024314
Wt: 472.5
BDBM50024318
Wt: 504.6
BDBM50024319
Wt: 402.5
BDBM50024312

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50024304,50024302,50024308,50209684,50320446,50024313,50024314,50024318,50024319,50024312   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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0.930n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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0.930n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024318
PNG
(CHEMBL2112976)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H32N4O3/c1-33-25-14-22-24(15-26(25)34-2)29-16-23-27(35-30-28(22)23)18-32-11-9-31(10-12-32)17-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27,29H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from adrenergic alpha2A receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024312
PNG
(CHEMBL2112970)
Show SMILES CN1C[C@H]2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22-,24-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024314
PNG
(CHEMBL2112969)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(CCOc5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31FN4O4/c1-31-22-13-19-21(14-23(22)32-2)27-15-20-24(34-28-25(19)20)16-30-9-7-29(8-10-30)11-12-33-18-5-3-17(26)4-6-18/h3-6,13-14,20,24,27H,7-12,15-16H2,1-2H3/t20-,24-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024313
PNG
(CHEMBL2112971)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(20-7-5-4-6-8-20)9-10-30-11-13-31(14-12-30)18-26-22-17-28-23-16-25(33-3)24(32-2)15-21(23)27(22)29-34-26/h4-9,15-16,22,26,28H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024319
PNG
(CHEMBL2112977)
Show SMILES COc1cc2N(C)C[C@H]3[C@H](CN4CCN(CCC\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C30H40N4O3/c1-22(17-23-10-6-5-7-11-23)9-8-12-33-13-15-34(16-14-33)21-29-25-20-32(2)26-19-28(36-4)27(35-3)18-24(26)30(25)31-37-29/h5-7,10-11,17-19,25,29H,8-9,12-16,20-21H2,1-4H3/b22-17+/t25-,29-/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
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024312
PNG
(CHEMBL2112970)
Show SMILES CN1C[C@H]2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22-,24-/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
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from adrenergic alpha2C receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024302
PNG
(CHEMBL2112983)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H32N4O3/c1-31-23-15-20-22(16-24(23)32-2)27-17-21-25(33-28-26(20)21)18-30-13-11-29(12-14-30)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25,27H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/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
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024313
PNG
(CHEMBL2112971)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(20-7-5-4-6-8-20)9-10-30-11-13-31(14-12-30)18-26-22-17-28-23-16-25(33-3)24(32-2)15-21(23)27(22)29-34-26/h4-9,15-16,22,26,28H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024302
PNG
(CHEMBL2112983)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H32N4O3/c1-31-23-15-20-22(16-24(23)32-2)27-17-21-25(33-28-26(20)21)18-30-13-11-29(12-14-30)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25,27H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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8.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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8.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024314
PNG
(CHEMBL2112969)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(CCOc5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31FN4O4/c1-31-22-13-19-21(14-23(22)32-2)27-15-20-24(34-28-25(19)20)16-30-9-7-29(8-10-30)11-12-33-18-5-3-17(26)4-6-18/h3-6,13-14,20,24,27H,7-12,15-16H2,1-2H3/t20-,24-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024302
PNG
(CHEMBL2112983)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H32N4O3/c1-31-23-15-20-22(16-24(23)32-2)27-17-21-25(33-28-26(20)21)18-30-13-11-29(12-14-30)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25,27H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024319
PNG
(CHEMBL2112977)
Show SMILES COc1cc2N(C)C[C@H]3[C@H](CN4CCN(CCC\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C30H40N4O3/c1-22(17-23-10-6-5-7-11-23)9-8-12-33-13-15-34(16-14-33)21-29-25-20-32(2)26-19-28(36-4)27(35-3)18-24(26)30(25)31-37-29/h5-7,10-11,17-19,25,29H,8-9,12-16,20-21H2,1-4H3/b22-17+/t25-,29-/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
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024318
PNG
(CHEMBL2112976)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H32N4O3/c1-33-25-14-22-24(15-26(25)34-2)29-16-23-27(35-30-28(22)23)18-32-11-9-31(10-12-32)17-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27,29H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024304
PNG
(CHEMBL2112981)
Show SMILES C(\C=C\c1ccccc1)N1CCN(C[C@@H]2ON=C3[C@H]2CNc2ccccc32)CC1
Show InChI InChI=1S/C24H28N4O/c1-2-7-19(8-3-1)9-6-12-27-13-15-28(16-14-27)18-23-21-17-25-22-11-5-4-10-20(22)24(21)26-29-23/h1-11,21,23,25H,12-18H2/b9-6+/t21-,23-/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
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024313
PNG
(CHEMBL2112971)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(20-7-5-4-6-8-20)9-10-30-11-13-31(14-12-30)18-26-22-17-28-23-16-25(33-3)24(32-2)15-21(23)27(22)29-34-26/h4-9,15-16,22,26,28H,10-14,17-18H2,1-3H3/b19-9+/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
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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16n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024312
PNG
(CHEMBL2112970)
Show SMILES CN1C[C@H]2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22-,24-/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
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024304
PNG
(CHEMBL2112981)
Show SMILES C(\C=C\c1ccccc1)N1CCN(C[C@@H]2ON=C3[C@H]2CNc2ccccc32)CC1
Show InChI InChI=1S/C24H28N4O/c1-2-7-19(8-3-1)9-6-12-27-13-15-28(16-14-27)18-23-21-17-25-22-11-5-4-10-20(22)24(21)26-29-23/h1-11,21,23,25H,12-18H2/b9-6+/t21-,23-/m0/s1
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20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024308
PNG
(CHEMBL2112974)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(Cc5ccc(Cl)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29ClN4O3/c1-30-21-11-18-20(12-22(21)31-2)26-13-19-23(32-27-24(18)19)15-29-9-7-28(8-10-29)14-16-3-5-17(25)6-4-16/h3-6,11-12,19,23,26H,7-10,13-15H2,1-2H3/t19-,23-/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
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024318
PNG
(CHEMBL2112976)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H32N4O3/c1-33-25-14-22-24(15-26(25)34-2)29-16-23-27(35-30-28(22)23)18-32-11-9-31(10-12-32)17-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27,29H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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74n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024304
PNG
(CHEMBL2112981)
Show SMILES C(\C=C\c1ccccc1)N1CCN(C[C@@H]2ON=C3[C@H]2CNc2ccccc32)CC1
Show InChI InChI=1S/C24H28N4O/c1-2-7-19(8-3-1)9-6-12-27-13-15-28(16-14-27)18-23-21-17-25-22-11-5-4-10-20(22)24(21)26-29-23/h1-11,21,23,25H,12-18H2/b9-6+/t21-,23-/m0/s1
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84n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024319
PNG
(CHEMBL2112977)
Show SMILES COc1cc2N(C)C[C@H]3[C@H](CN4CCN(CCC\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C30H40N4O3/c1-22(17-23-10-6-5-7-11-23)9-8-12-33-13-15-34(16-14-33)21-29-25-20-32(2)26-19-28(36-4)27(35-3)18-24(26)30(25)31-37-29/h5-7,10-11,17-19,25,29H,8-9,12-16,20-21H2,1-4H3/b22-17+/t25-,29-/m0/s1
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104n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024308
PNG
(CHEMBL2112974)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(Cc5ccc(Cl)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29ClN4O3/c1-30-21-11-18-20(12-22(21)31-2)26-13-19-23(32-27-24(18)19)15-29-9-7-28(8-10-29)14-16-3-5-17(25)6-4-16/h3-6,11-12,19,23,26H,7-10,13-15H2,1-2H3/t19-,23-/m0/s1
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151n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50024314
PNG
(CHEMBL2112969)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(CCOc5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31FN4O4/c1-31-22-13-19-21(14-23(22)32-2)27-15-20-24(34-28-25(19)20)16-30-9-7-29(8-10-30)11-12-33-18-5-3-17(26)4-6-18/h3-6,13-14,20,24,27H,7-12,15-16H2,1-2H3/t20-,24-/m0/s1
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154n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50024308
PNG
(CHEMBL2112974)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(Cc5ccc(Cl)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C24H29ClN4O3/c1-30-21-11-18-20(12-22(21)31-2)26-13-19-23(32-27-24(18)19)15-29-9-7-28(8-10-29)14-16-3-5-17(25)6-4-16/h3-6,11-12,19,23,26H,7-10,13-15H2,1-2H3/t19-,23-/m0/s1
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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
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair