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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50009554   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50084999
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
Show InChI InChI=1S/C26H26F2N6O6/c27-17-7-6-16(14-18(17)28)23-22-19(15-40-24(22)35)30-26(37)33(23)25(36)29-8-3-9-31-10-12-32(13-11-31)20-4-1-2-5-21(20)34(38)39/h1-2,4-7,14,23H,3,8-13,15H2,(H,29,36)(H,30,37)
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0.600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50085000
PNG
(1-{3-[(4-Benzo[1,2,5]oxadiazol-5-yl-2,5-dioxo-1,2,...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3nonc3c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30N6O7/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-30-27(38)35-24(18-8-9-20-21(16-18)33-42-32-20)23-22(31-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,30,38)(H,31,39)
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0.900n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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0.900n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082797
PNG
(4-(3,4-Difluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
Show InChI InChI=1S/C30H34F2N4O6/c1-19-24(26(37)41-2)25(20-10-11-22(31)23(32)18-20)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,27(38)42-3)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(H,33,39)(H,34,40)
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<1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50218277
PNG
(CHEMBL35520)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C31H36F2N4O7/c1-42-19-24-25(27(38)43-2)26(20-10-11-22(32)23(33)18-20)37(30(41)35-24)29(40)34-14-7-15-36-16-12-31(13-17-36,28(39)44-3)21-8-5-4-6-9-21/h4-6,8-11,18,26H,7,12-17,19H2,1-3H3,(H,34,40)(H,35,41)
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<1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50085004
PNG
(1-(3-{[4-(4-Nitro-phenyl)-2,5-dioxo-1,2,5,7-tetrah...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H31N5O8/c1-41-26(36)29(20-6-3-2-4-7-20)12-16-32(17-13-29)15-5-14-30-27(37)33-24(19-8-10-21(11-9-19)34(39)40)23-22(31-28(33)38)18-42-25(23)35/h2-4,6-11,24H,5,12-18H2,1H3,(H,30,37)(H,31,38)
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1.10n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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1.60n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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1.60n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50085003
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
Show InChI InChI=1S/C27H28F2N6O5/c28-18-7-6-16(14-19(18)29)23-22-20(15-40-25(22)37)32-27(39)35(23)26(38)31-8-3-9-33-10-12-34(13-11-33)21-5-2-1-4-17(21)24(30)36/h1-2,4-7,14,23H,3,8-13,15H2,(H2,30,36)(H,31,38)(H,32,39)
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2.30n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50084997
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36|
Show InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16-39-25(23)36)33-27(38)35(24)26(37)32-11-4-12-34-13-9-28(17-31,10-14-34)19-5-2-1-3-6-19/h1-3,5-8,15,24H,4,9-14,16H2,(H,32,37)(H,33,38)
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5.80n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50085002
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:41|
Show InChI InChI=1S/C33H32F2N4O4/c34-25-13-12-22(20-26(25)35)29-28-27(21-43-30(28)40)37-32(42)39(29)31(41)36-16-7-17-38-18-14-33(15-19-38,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,29H,7,14-19,21H2,(H,36,41)(H,37,42)
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9.10n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50085001
PNG
(1-(4-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:17|
Show InChI InChI=1S/C30H32F2N4O6/c1-41-27(38)30(20-7-3-2-4-8-20)11-15-35(16-12-30)14-6-5-13-33-28(39)36-25(19-9-10-21(31)22(32)17-19)24-23(34-29(36)40)18-42-26(24)37/h2-4,7-10,17,25H,5-6,11-16,18H2,1H3,(H,33,39)(H,34,40)
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15n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50085005
PNG
(1-{3-[(4-Benzo[1,3]dioxol-5-yl-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3OCOc3c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C30H32N4O8/c1-39-27(36)30(20-6-3-2-4-7-20)10-14-33(15-11-30)13-5-12-31-28(37)34-25(19-8-9-22-23(16-19)42-18-41-22)24-21(32-29(34)38)17-40-26(24)35/h2-4,6-9,16,25H,5,10-15,17-18H2,1H3,(H,31,37)(H,32,38)
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35n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50084998
PNG
(1-(2-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:15|
Show InChI InChI=1S/C28H28F2N4O6/c1-39-25(36)28(18-5-3-2-4-6-18)9-12-33(13-10-28)14-11-31-26(37)34-23(17-7-8-19(29)20(30)15-17)22-21(32-27(34)38)16-40-24(22)35/h2-8,15,23H,9-14,16H2,1H3,(H,31,37)(H,32,38)
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62n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50085002
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:41|
Show InChI InChI=1S/C33H32F2N4O4/c34-25-13-12-22(20-26(25)35)29-28-27(21-43-30(28)40)37-32(42)39(29)31(41)36-16-7-17-38-18-14-33(15-19-38,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,29H,7,14-19,21H2,(H,36,41)(H,37,42)
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120n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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130n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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130n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085002
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:41|
Show InChI InChI=1S/C33H32F2N4O4/c34-25-13-12-22(20-26(25)35)29-28-27(21-43-30(28)40)37-32(42)39(29)31(41)36-16-7-17-38-18-14-33(15-19-38,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,29H,7,14-19,21H2,(H,36,41)(H,37,42)
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130n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50085004
PNG
(1-(3-{[4-(4-Nitro-phenyl)-2,5-dioxo-1,2,5,7-tetrah...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H31N5O8/c1-41-26(36)29(20-6-3-2-4-7-20)12-16-32(17-13-29)15-5-14-30-27(37)33-24(19-8-10-21(11-9-19)34(39)40)23-22(31-28(33)38)18-42-25(23)35/h2-4,6-11,24H,5,12-18H2,1H3,(H,30,37)(H,31,38)
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130n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50084999
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
Show InChI InChI=1S/C26H26F2N6O6/c27-17-7-6-16(14-18(17)28)23-22-19(15-40-24(22)35)30-26(37)33(23)25(36)29-8-3-9-31-10-12-32(13-11-31)20-4-1-2-5-21(20)34(38)39/h1-2,4-7,14,23H,3,8-13,15H2,(H,29,36)(H,30,37)
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180n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50084999
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
Show InChI InChI=1S/C26H26F2N6O6/c27-17-7-6-16(14-18(17)28)23-22-19(15-40-24(22)35)30-26(37)33(23)25(36)29-8-3-9-31-10-12-32(13-11-31)20-4-1-2-5-21(20)34(38)39/h1-2,4-7,14,23H,3,8-13,15H2,(H,29,36)(H,30,37)
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210n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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250n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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250n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50085000
PNG
(1-{3-[(4-Benzo[1,2,5]oxadiazol-5-yl-2,5-dioxo-1,2,...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3nonc3c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30N6O7/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-30-27(38)35-24(18-8-9-20-21(16-18)33-42-32-20)23-22(31-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,30,38)(H,31,39)
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300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50085001
PNG
(1-(4-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:17|
Show InChI InChI=1S/C30H32F2N4O6/c1-41-27(38)30(20-7-3-2-4-8-20)11-15-35(16-12-30)14-6-5-13-33-28(39)36-25(19-9-10-21(31)22(32)17-19)24-23(34-29(36)40)18-42-26(24)37/h2-4,7-10,17,25H,5-6,11-16,18H2,1H3,(H,33,39)(H,34,40)
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340n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085000
PNG
(1-{3-[(4-Benzo[1,2,5]oxadiazol-5-yl-2,5-dioxo-1,2,...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3nonc3c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30N6O7/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-30-27(38)35-24(18-8-9-20-21(16-18)33-42-32-20)23-22(31-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,30,38)(H,31,39)
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340n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50085003
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
Show InChI InChI=1S/C27H28F2N6O5/c28-18-7-6-16(14-19(18)29)23-22-20(15-40-25(22)37)32-27(39)35(23)26(38)31-8-3-9-33-10-12-34(13-11-33)21-5-2-1-4-17(21)24(30)36/h1-2,4-7,14,23H,3,8-13,15H2,(H2,30,36)(H,31,38)(H,32,39)
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350n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50085005
PNG
(1-{3-[(4-Benzo[1,3]dioxol-5-yl-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3OCOc3c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C30H32N4O8/c1-39-27(36)30(20-6-3-2-4-7-20)10-14-33(15-11-30)13-5-12-31-28(37)34-25(19-8-9-22-23(16-19)42-18-41-22)24-21(32-29(34)38)17-40-26(24)35/h2-4,6-9,16,25H,5,10-15,17-18H2,1H3,(H,31,37)(H,32,38)
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390n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085001
PNG
(1-(4-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:17|
Show InChI InChI=1S/C30H32F2N4O6/c1-41-27(38)30(20-7-3-2-4-8-20)11-15-35(16-12-30)14-6-5-13-33-28(39)36-25(19-9-10-21(31)22(32)17-19)24-23(34-29(36)40)18-42-26(24)37/h2-4,7-10,17,25H,5-6,11-16,18H2,1H3,(H,33,39)(H,34,40)
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420n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085004
PNG
(1-(3-{[4-(4-Nitro-phenyl)-2,5-dioxo-1,2,5,7-tetrah...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H31N5O8/c1-41-26(36)29(20-6-3-2-4-7-20)12-16-32(17-13-29)15-5-14-30-27(37)33-24(19-8-10-21(11-9-19)34(39)40)23-22(31-28(33)38)18-42-25(23)35/h2-4,6-11,24H,5,12-18H2,1H3,(H,30,37)(H,31,38)
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420n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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430n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085003
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
Show InChI InChI=1S/C27H28F2N6O5/c28-18-7-6-16(14-19(18)29)23-22-20(15-40-25(22)37)32-27(39)35(23)26(38)31-8-3-9-33-10-12-34(13-11-33)21-5-2-1-4-17(21)24(30)36/h1-2,4-7,14,23H,3,8-13,15H2,(H2,30,36)(H,31,38)(H,32,39)
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690n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50084997
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36|
Show InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16-39-25(23)36)33-27(38)35(24)26(37)32-11-4-12-34-13-9-28(17-31,10-14-34)19-5-2-1-3-6-19/h1-3,5-8,15,24H,4,9-14,16H2,(H,32,37)(H,33,38)
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970n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50084997
PNG
(4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...)
Show SMILES Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36|
Show InChI InChI=1S/C28H27F2N5O4/c29-20-8-7-18(15-21(20)30)24-23-22(16-39-25(23)36)33-27(38)35(24)26(37)32-11-4-12-34-13-9-28(17-31,10-14-34)19-5-2-1-3-6-19/h1-3,5-8,15,24H,4,9-14,16H2,(H,32,37)(H,33,38)
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1.10E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50084998
PNG
(1-(2-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:15|
Show InChI InChI=1S/C28H28F2N4O6/c1-39-25(36)28(18-5-3-2-4-6-18)9-12-33(13-10-28)14-11-31-26(37)34-23(17-7-8-19(29)20(30)15-17)22-21(32-27(34)38)16-40-24(22)35/h2-8,15,23H,9-14,16H2,1H3,(H,31,37)(H,32,38)
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1.20E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50084998
PNG
(1-(2-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:15|
Show InChI InChI=1S/C28H28F2N4O6/c1-39-25(36)28(18-5-3-2-4-6-18)9-12-33(13-10-28)14-11-31-26(37)34-23(17-7-8-19(29)20(30)15-17)22-21(32-27(34)38)16-40-24(22)35/h2-8,15,23H,9-14,16H2,1H3,(H,31,37)(H,32,38)
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1.30E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085005
PNG
(1-{3-[(4-Benzo[1,3]dioxol-5-yl-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3OCOc3c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C30H32N4O8/c1-39-27(36)30(20-6-3-2-4-7-20)10-14-33(15-11-30)13-5-12-31-28(37)34-25(19-8-9-22-23(16-19)42-18-41-22)24-21(32-29(34)38)17-40-26(24)35/h2-4,6-9,16,25H,5,10-15,17-18H2,1H3,(H,31,37)(H,32,38)
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1.90E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair