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30 similar compounds to monomer 50087470

Compile data set for download or QSAR
Wt: 448.5
BDBM50060965
Wt: 447.5
BDBM50087462
Wt: 449.5
BDBM50087463
Wt: 492.5
BDBM50087464
Wt: 447.5
BDBM50087465
Wt: 461.5
BDBM50087466
Wt: 448.5
BDBM50087467
Wt: 490.5
BDBM50087468
Wt: 505.5
BDBM50087469
Wt: 472.5
BDBM50087473
Wt: 481.9
BDBM50087474
Wt: 472.5
BDBM50087475
Wt: 472.5
BDBM50087477
Wt: 447.5
BDBM50087478
Wt: 461.5
BDBM50087479
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 50060965,50087462,50087463,50087464,50087465,50087466,50087467,50087468,50087469,50087473,50087474,50087475,50087477,50087478,50087479   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active


Bioorg Med Chem Lett 15: 657-64 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.032
BindingDB Entry DOI: 10.7270/Q2SN08GW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087465
PNG
((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
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0.370n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087467
PNG
(CHEMBL40754 | xv2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexa...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccncc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-7-8-25-11-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087473
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-21-4-2-3-17-18(21)8-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-7-5-15(12-27)11-22(19)34-24/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087468
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H26N4O4S/c1-34-20-4-2-3-16-17(20)7-5-15-12-29(13-19(15)16)9-10-30-25(32)23-22(28-26(30)33)18-11-14(24(27)31)6-8-21(18)35-23/h2-4,6,8,11,15,19H,5,7,9-10,12-13H2,1H3,(H2,27,31)(H,28,33)/t15-,19+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087474
PNG
(9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H24ClN3O3S/c1-32-19-6-2-4-15-16(19)9-8-14-12-28(13-17(14)15)10-11-29-24(30)23-22(27-25(29)31)21-18(26)5-3-7-20(21)33-23/h2-7,14,17H,8-13H2,1H3,(H,27,31)/t14-,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087468
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H26N4O4S/c1-34-20-4-2-3-16-17(20)7-5-15-12-29(13-19(15)16)9-10-30-25(32)23-22(28-26(30)33)18-11-14(24(27)31)6-8-21(18)35-23/h2-4,6,8,11,15,19H,5,7,9-10,12-13H2,1H3,(H2,27,31)(H,28,33)/t15-,19+/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087467
PNG
(CHEMBL40754 | xv2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexa...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccncc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-7-8-25-11-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087477
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-21-4-2-3-17-18(21)7-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-11-15(12-27)5-8-22(19)34-24/h2-5,8,11,16,20H,6-7,9-10,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087465
PNG
((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087465
PNG
((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
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0.640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087473
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-21-4-2-3-17-18(21)8-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-7-5-15(12-27)11-22(19)34-24/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087479
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C)c56)c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H27N3O3S/c1-15-5-3-8-21-22(15)23-24(33-21)25(30)29(26(31)27-23)12-11-28-13-16-9-10-18-17(19(16)14-28)6-4-7-20(18)32-2/h3-8,16,19H,9-14H2,1-2H3,(H,27,31)/t16-,19+/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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0.970n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087465
PNG
((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
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1.08n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087464
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H24N4O5S/c1-34-20-4-2-3-16-17(20)7-5-14-12-27(13-19(14)16)9-10-28-24(30)23-22(26-25(28)31)18-11-15(29(32)33)6-8-21(18)35-23/h2-4,6,8,11,14,19H,5,7,9-10,12-13H2,1H3,(H,26,31)/t14-,19+/m0/s1
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1.28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087479
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C)c56)c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H27N3O3S/c1-15-5-3-8-21-22(15)23-24(33-21)25(30)29(26(31)27-23)12-11-28-13-16-9-10-18-17(19(16)14-28)6-4-7-20(18)32-2/h3-8,16,19H,9-14H2,1-2H3,(H,27,31)/t16-,19+/m0/s1
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1.29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087464
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H24N4O5S/c1-34-20-4-2-3-16-17(20)7-5-14-12-27(13-19(14)16)9-10-28-24(30)23-22(26-25(28)31)18-11-15(29(32)33)6-8-21(18)35-23/h2-4,6,8,11,14,19H,5,7,9-10,12-13H2,1H3,(H,26,31)/t14-,19+/m0/s1
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1.31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087474
PNG
(9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H24ClN3O3S/c1-32-19-6-2-4-15-16(19)9-8-14-12-28(13-17(14)15)10-11-29-24(30)23-22(27-25(29)31)21-18(26)5-3-7-20(21)33-23/h2-7,14,17H,8-13H2,1H3,(H,27,31)/t14-,17+/m0/s1
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1.32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087463
PNG
(2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncncc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C23H23N5O3S/c1-31-17-4-2-3-14-15(17)6-5-13-10-27(11-16(13)14)7-8-28-22(29)21-20(26-23(28)30)19-18(32-21)9-24-12-25-19/h2-4,9,12-13,16H,5-8,10-11H2,1H3,(H,26,30)/t13-,16+/m0/s1
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1.62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087477
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-21-4-2-3-17-18(21)7-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-11-15(12-27)5-8-22(19)34-24/h2-5,8,11,16,20H,6-7,9-10,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
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1.64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087465
PNG
((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
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2.57n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087469
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COC(=O)c1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1
Show InChI InChI=1S/C27H27N3O5S/c1-34-21-5-3-4-17-18(21)8-6-16-13-29(14-20(16)17)10-11-30-25(31)24-23(28-27(30)33)19-12-15(26(32)35-2)7-9-22(19)36-24/h3-5,7,9,12,16,20H,6,8,10-11,13-14H2,1-2H3,(H,28,33)/t16-,20+/m0/s1
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2.84n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087474
PNG
(9-Chloro-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-b...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H24ClN3O3S/c1-32-19-6-2-4-15-16(19)9-8-14-12-28(13-17(14)15)10-11-29-24(30)23-22(27-25(29)31)21-18(26)5-3-7-20(21)33-23/h2-7,14,17H,8-13H2,1H3,(H,27,31)/t14-,17+/m0/s1
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3.15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087475
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C#N)c56)c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-20-6-3-5-17-18(20)9-8-16-13-29(14-19(16)17)10-11-30-25(31)24-23(28-26(30)32)22-15(12-27)4-2-7-21(22)34-24/h2-7,16,19H,8-11,13-14H2,1H3,(H,28,32)/t16-,19+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087467
PNG
(CHEMBL40754 | xv2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexa...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccncc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-7-8-25-11-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
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3.33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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3.39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087465
PNG
((Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C25H25N3O3S/c1-31-20-7-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-8-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30)
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3.43n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087463
PNG
(2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncncc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C23H23N5O3S/c1-31-17-4-2-3-14-15(17)6-5-13-10-27(11-16(13)14)7-8-28-22(29)21-20(26-23(28)30)19-18(32-21)9-24-12-25-19/h2-4,9,12-13,16H,5-8,10-11H2,1H3,(H,26,30)/t13-,16+/m0/s1
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3.74n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087469
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COC(=O)c1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1
Show InChI InChI=1S/C27H27N3O5S/c1-34-21-5-3-4-17-18(21)8-6-16-13-29(14-20(16)17)10-11-30-25(31)24-23(28-27(30)33)19-12-15(26(32)35-2)7-9-22(19)36-24/h3-5,7,9,12,16,20H,6,8,10-11,13-14H2,1-2H3,(H,28,33)/t16-,20+/m0/s1
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4.75n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087462
PNG
((Cis)3-[2-(9-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c12
Show InChI InChI=1S/C25H25N3O3S/c1-31-19-7-4-5-15-9-10-16-13-27(14-18(16)21(15)19)11-12-28-24(29)23-22(26-25(28)30)17-6-2-3-8-20(17)32-23/h2-8,16,18H,9-14H2,1H3,(H,26,30)
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5.27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087478
PNG
((Cis)3-[2-(8-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1ccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c2c1
Show InChI InChI=1S/C25H25N3O3S/c1-31-17-9-8-15-6-7-16-13-27(14-20(16)19(15)12-17)10-11-28-24(29)23-22(26-25(28)30)18-4-2-3-5-21(18)32-23/h2-5,8-9,12,16,20H,6-7,10-11,13-14H2,1H3,(H,26,30)
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5.76n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087473
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-21-4-2-3-17-18(21)8-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-7-5-15(12-27)11-22(19)34-24/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087468
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H26N4O4S/c1-34-20-4-2-3-16-17(20)7-5-15-12-29(13-19(15)16)9-10-30-25(32)23-22(28-26(30)33)18-11-14(24(27)31)6-8-21(18)35-23/h2-4,6,8,11,15,19H,5,7,9-10,12-13H2,1H3,(H2,27,31)(H,28,33)/t15-,19+/m0/s1
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6.34n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087475
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C#N)c56)c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-20-6-3-5-17-18(20)9-8-16-13-29(14-19(16)17)10-11-30-25(31)24-23(28-26(30)32)22-15(12-27)4-2-7-21(22)34-24/h2-7,16,19H,8-11,13-14H2,1H3,(H,28,32)/t16-,19+/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087479
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C)c56)c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H27N3O3S/c1-15-5-3-8-21-22(15)23-24(33-21)25(30)29(26(31)27-23)12-11-28-13-16-9-10-18-17(19(16)14-28)6-4-7-20(18)32-2/h3-8,16,19H,9-14H2,1-2H3,(H,27,31)/t16-,19+/m0/s1
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6.95n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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6.95n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1B adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087466
PNG
((Cis)3-[3-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C26H27N3O3S/c1-32-21-8-4-7-17-18(21)11-10-16-14-28(15-20(16)17)12-5-13-29-25(30)24-23(27-26(29)31)19-6-2-3-9-22(19)33-24/h2-4,6-9,16,20H,5,10-15H2,1H3,(H,27,31)
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7.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087462
PNG
((Cis)3-[2-(9-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c12
Show InChI InChI=1S/C25H25N3O3S/c1-31-19-7-4-5-15-9-10-16-13-27(14-18(16)21(15)19)11-12-28-24(29)23-22(26-25(28)30)17-6-2-3-8-20(17)32-23/h2-8,16,18H,9-14H2,1H3,(H,26,30)
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7.82n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087464
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H24N4O5S/c1-34-20-4-2-3-16-17(20)7-5-14-12-27(13-19(14)16)9-10-28-24(30)23-22(26-25(28)31)18-11-15(29(32)33)6-8-21(18)35-23/h2-4,6,8,11,14,19H,5,7,9-10,12-13H2,1H3,(H,26,31)/t14-,19+/m0/s1
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8.49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087462
PNG
((Cis)3-[2-(9-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c12
Show InChI InChI=1S/C25H25N3O3S/c1-31-19-7-4-5-15-9-10-16-13-27(14-18(16)21(15)19)11-12-28-24(29)23-22(26-25(28)30)17-6-2-3-8-20(17)32-23/h2-8,16,18H,9-14H2,1H3,(H,26,30)
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8.67n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087478
PNG
((Cis)3-[2-(8-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1ccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c2c1
Show InChI InChI=1S/C25H25N3O3S/c1-31-17-9-8-15-6-7-16-13-27(14-20(16)19(15)12-17)10-11-28-24(29)23-22(26-25(28)30)18-4-2-3-5-21(18)32-23/h2-5,8-9,12,16,20H,6-7,10-11,13-14H2,1H3,(H,26,30)
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12.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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13.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat Alpha-2B adrenergic receptor using [3H]-rauwolscine as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087469
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COC(=O)c1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1
Show InChI InChI=1S/C27H27N3O5S/c1-34-21-5-3-4-17-18(21)8-6-16-13-29(14-20(16)17)10-11-30-25(31)24-23(28-27(30)33)19-12-15(26(32)35-2)7-9-22(19)36-24/h3-5,7,9,12,16,20H,6,8,10-11,13-14H2,1-2H3,(H,28,33)/t16-,20+/m0/s1
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14.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087477
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C26H24N4O3S/c1-33-21-4-2-3-17-18(21)7-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-11-15(12-27)5-8-22(19)34-24/h2-5,8,11,16,20H,6-7,9-10,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
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14.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087466
PNG
((Cis)3-[3-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
Show InChI InChI=1S/C26H27N3O3S/c1-32-21-8-4-7-17-18(21)11-10-16-14-28(15-20(16)17)12-5-13-29-25(30)24-23(27-26(29)31)19-6-2-3-9-22(19)33-24/h2-4,6-9,16,20H,5,10-15H2,1H3,(H,27,31)
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14.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087463
PNG
(2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncncc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C23H23N5O3S/c1-31-17-4-2-3-14-15(17)6-5-13-10-27(11-16(13)14)7-8-28-22(29)21-20(26-23(28)30)19-18(32-21)9-24-12-25-19/h2-4,9,12-13,16H,5-8,10-11H2,1H3,(H,26,30)/t13-,16+/m0/s1
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15.9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
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