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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'scott' and Initial = 'al'   
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))
BDBM50071654
PNG
(3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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0.0570n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071655
PNG
(3-{1-[4-(5-Methoxy-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O6S/c1-32-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)33-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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0.0640n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071647
PNG
(3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
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0.0770n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human aorta preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071652
PNG
(6-Fluoro-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-19-20(15-16)32-23(29)27(19)17-9-13-25(14-10-17)11-3-4-12-26-22(28)18-5-1-2-6-21(18)33(26,30)31/h1-2,5-8,15,17H,3-4,9-14H2
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0.0840n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071651
PNG
(3-{1-[4-(5-Methyl-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-22-19(16-17)23(28)26(33(22,30)31)13-5-4-12-25-14-10-18(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16,18H,4-5,10-15H2,1H3
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0.0990n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071646
PNG
(3-{1-[4-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo...)
Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3ccccc3oc2=O)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C23H25N3O5S/c27-22-18-7-1-4-10-21(18)32(29,30)25(22)14-6-5-13-24-15-11-17(12-16-24)26-19-8-2-3-9-20(19)31-23(26)28/h1-4,7-10,17H,5-6,11-16H2
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0.120n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071661
PNG
(3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24N4O7S/c28-22-18-15-17(27(30)31)7-8-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2
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0.130n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071653
PNG
(3-{1-[4-(6-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H24N4O7S/c28-22-18-8-7-17(27(30)31)15-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2
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0.160n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071647
PNG
(3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
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0.170n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for alpha 1a receptor in human prostate tissue preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.200n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.200n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.210n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071647
PNG
(3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
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0.240n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human prostate tissue preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071649
PNG
(3-{1-[4-(5-Fluoro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Fc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
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0.270n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071656
PNG
(2-{4-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-pip...)
Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C24H26N4O3/c29-22-18-7-1-2-8-19(18)23(30)27(22)14-6-5-13-26-15-11-17(12-16-26)28-21-10-4-3-9-20(21)25-24(28)31/h1-4,7-10,17H,5-6,11-16H2,(H,25,31)
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0.280n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.300n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1D adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.300n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1A adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.390n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using 0.1 nM [3H]-8-OH-DPAT (8-hydroxy-2-(di-n-propylamino)tet-ralin), from rat hippocampal ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]-HEAT from cloned human Alpha-1A adrenergic receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human Alpha-1a adrenergic receptor stably expressed in Chinese...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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1.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071660
PNG
(5-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-21-20(16-17)27(24(29)32-21)18-10-14-25(15-11-18)12-4-5-13-26-23(28)19-6-2-3-7-22(19)33(26,30)31/h2-3,6-9,16,18H,4-5,10-15H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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1.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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1.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human aorta preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl) ethylamino methyl tetralone from human cloned Alpha-1d adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50063907
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1D adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071658
PNG
(3-{1-[4-(6-Methanesulfonyl-1,1,3-trioxo-1,3-dihydr...)
Show SMILES CS(=O)(=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H27N3O7S2/c1-35(30,31)18-8-9-19-22(16-18)36(32,33)26(23(19)28)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)34-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50071656
PNG
(2-{4-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-pip...)
Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C24H26N4O3/c29-22-18-7-1-2-8-19(18)23(30)27(22)14-6-5-13-26-15-11-17(12-16-26)28-21-10-4-3-9-20(21)25-24(28)31/h1-4,7-10,17H,5-6,11-16H2,(H,25,31)
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3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071650
PNG
(6-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Cc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-20-21(16-17)32-24(29)27(20)18-10-14-25(15-11-18)12-4-5-13-26-23(28)19-6-2-3-7-22(19)33(26,30)31/h2-3,6-9,16,18H,4-5,10-15H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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3.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1D adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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3.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1A adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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4.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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4.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in dog prostate tissue preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50063907
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074009
PNG
(CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...)
Show SMILES COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-17(21)9-12-25-13-10-23(11-14-25)16-20(26)19-8-7-18(15-22(19)30-23)24-31(2,27)28/h3-8,15,24H,9-14,16H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50071658
PNG
(3-{1-[4-(6-Methanesulfonyl-1,1,3-trioxo-1,3-dihydr...)
Show SMILES CS(=O)(=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C24H27N3O7S2/c1-35(30,31)18-8-9-19-22(16-18)36(32,33)26(23(19)28)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)34-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50071652
PNG
(6-Fluoro-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-19-20(15-16)32-23(29)27(19)17-9-13-25(14-10-17)11-3-4-12-26-22(28)18-5-1-2-6-21(18)33(26,30)31/h1-2,5-8,15,17H,3-4,9-14H2
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7.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074008
PNG
(CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
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8n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50071654
PNG
(3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Alpha-1A adrenergic receptor in rat prostatic tissue


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
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