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Compile Data Set for Download or QSAR

Found 396 hits with Last Name = 'palmer' and Initial = 'mj'   
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/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227376
PNG
(CHEMBL8689)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H22N4O4/c1-26-17-10-13-14(21)11-19(22-15(13)12-18(17)27-2)23-5-7-24(8-6-23)20(25)16-4-3-9-28-16/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)
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 0.140n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-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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 0.190n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-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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 0.190n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin

J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-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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 0.190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227379
PNG
(CHEMBL267428)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)NCC=C
Show InChI InChI=1S/C19H25N5O3/c1-4-5-21-19(25)24-8-6-23(7-9-24)18-11-14(20)13-10-16(26-2)17(27-3)12-15(13)22-18/h4,10-12H,1,5-9H2,2-3H3,(H2,20,22)(H,21,25)
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 0.290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227369
PNG
(CHEMBL268416)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3/c1-29-19-12-16-17(23)13-21(25-18(16)14-20(19)30-2)26-8-10-27(11-9-26)22(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,24,28)
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 0.340n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227368
PNG
(CHEMBL8603)
Show SMILES CCOc1ccnc(n1)N1CCN(CC1)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H26N6O3/c1-4-30-20-5-6-23-21(25-20)27-9-7-26(8-10-27)19-12-15(22)14-11-17(28-2)18(29-3)13-16(14)24-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,22,24)
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 0.420n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227374
PNG
(CHEMBL8369)
Show SMILES CCCNC(=O)N1CCN(CC1)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H27N5O3/c1-4-5-21-19(25)24-8-6-23(7-9-24)18-11-14(20)13-10-16(26-2)17(27-3)12-15(13)22-18/h10-12H,4-9H2,1-3H3,(H2,20,22)(H,21,25)
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 0.440n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227372
PNG
(CHEMBL8585)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C
Show InChI InChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24)
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 0.460n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227373
PNG
(CHEMBL266119)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H24N4O3/c1-28-19-12-16-17(23)13-21(24-18(16)14-20(19)29-2)25-8-10-26(11-9-25)22(27)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,24)
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 0.490n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227381
PNG
(CHEMBL267804)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(C)n1
Show InChI InChI=1S/C20H24N6O2/c1-13-4-5-22-20(23-13)26-8-6-25(7-9-26)19-11-15(21)14-10-17(27-2)18(28-3)12-16(14)24-19/h4-5,10-12H,6-9H2,1-3H3,(H2,21,24)
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 0.630n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227380
PNG
(CHEMBL8632)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C24H26N4O5/c1-30-20-11-15-16(25)12-23(26-17(15)13-21(20)31-2)27-7-9-28(10-8-27)24(29)22-14-32-18-5-3-4-6-19(18)33-22/h3-6,11-13,22H,7-10,14H2,1-2H3,(H2,25,26)
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 0.810n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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 1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227378
PNG
(CHEMBL8426)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C17H22N4O3/c1-11(22)20-4-6-21(7-5-20)17-9-13(18)12-8-15(23-2)16(24-3)10-14(12)19-17/h8-10H,4-7H2,1-3H3,(H2,18,19)
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 1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225517
PNG
(CHEMBL346693)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1(C)COc2ccccc2O1
Show InChI InChI=1S/C24H27N5O5/c1-24(14-33-17-6-4-5-7-18(17)34-24)22(30)28-8-10-29(11-9-28)23-26-16-13-20(32-3)19(31-2)12-15(16)21(25)27-23/h4-7,12-13H,8-11,14H2,1-3H3,(H2,25,26,27)
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 1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225444
PNG
(CHEMBL262745)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C24H27N5O5/c1-31-19-12-15-16(13-20(19)32-2)26-24(27-22(15)25)29-9-5-8-28(10-11-29)23(30)21-14-33-17-6-3-4-7-18(17)34-21/h3-4,6-7,12-13,21H,5,8-11,14H2,1-2H3,(H2,25,26,27)
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 1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227371
PNG
(CHEMBL276701)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H24N4O2/c1-26-19-12-16-17(22)13-21(23-18(16)14-20(19)27-2)25-10-8-24(9-11-25)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23)
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 1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225695
PNG
(CHEMBL154624)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1Oc2ccccc2OC1C
Show InChI InChI=1S/C24H27N5O5/c1-14-21(34-18-7-5-4-6-17(18)33-14)23(30)28-8-10-29(11-9-28)24-26-16-13-20(32-3)19(31-2)12-15(16)22(25)27-24/h4-7,12-14,21H,8-11H2,1-3H3,(H2,25,26,27)
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 2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225695
PNG
(CHEMBL154624)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1Oc2ccccc2OC1C
Show InChI InChI=1S/C24H27N5O5/c1-14-21(34-18-7-5-4-6-17(18)33-14)23(30)28-8-10-29(11-9-28)24-26-16-13-20(32-3)19(31-2)12-15(16)22(25)27-24/h4-7,12-14,21H,8-11H2,1-3H3,(H2,25,26,27)
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 2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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 2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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 2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225697
PNG
(CHEMBL154714)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cccc(OC)c2O1
Show InChI InChI=1S/C24H27N5O6/c1-31-16-5-4-6-17-21(16)35-20(13-34-17)23(30)28-7-9-29(10-8-28)24-26-15-12-19(33-3)18(32-2)11-14(15)22(25)27-24/h4-6,11-12,20H,7-10,13H2,1-3H3,(H2,25,26,27)
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 2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227370
PNG
(CHEMBL8568)
Show SMILES CCN(CC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C15H21N3O2/c1-5-18(6-2)15-8-11(16)10-7-13(19-3)14(20-4)9-12(10)17-15/h7-9H,5-6H2,1-4H3,(H2,16,17)
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 2.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225521
PNG
(CHEMBL154882)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccc(cc2O1)C(C)=O
Show InChI InChI=1S/C25H27N5O6/c1-14(31)15-4-5-18-21(10-15)36-22(13-35-18)24(32)29-6-8-30(9-7-29)25-27-17-12-20(34-3)19(33-2)11-16(17)23(26)28-25/h4-5,10-12,22H,6-9,13H2,1-3H3,(H2,26,27,28)
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 3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225696
PNG
(CHEMBL154212)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cccc(C)c2O1
Show InChI InChI=1S/C24H27N5O5/c1-14-5-4-6-17-21(14)34-20(13-33-17)23(30)28-7-9-29(10-8-28)24-26-16-12-19(32-3)18(31-2)11-15(16)22(25)27-24/h4-6,11-12,20H,7-10,13H2,1-3H3,(H2,25,26,27)
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 3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225520
PNG
(CHEMBL155264)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCOc2ccccc2O1
Show InChI InChI=1S/C24H27N5O5/c1-31-20-13-15-16(14-21(20)32-2)26-24(27-22(15)25)29-10-8-28(9-11-29)23(30)19-7-12-33-17-5-3-4-6-18(17)34-19/h3-6,13-14,19H,7-12H2,1-2H3,(H2,25,26,27)
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 3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM96939
PNG
((4-amino-6,7-dimethoxy-quinazolin-2-yl)-dimethyl-a...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)C
Show InChI InChI=1S/C12H16N4O2/c1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12/h5-6H,1-4H3,(H2,13,14,15)
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 4.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin

J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225518
PNG
(CHEMBL153933)
Show SMILES COc1ccc2OC(COc2c1)C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C24H27N5O6/c1-31-14-4-5-17-20(10-14)34-13-21(35-17)23(30)28-6-8-29(9-7-28)24-26-16-12-19(33-3)18(32-2)11-15(16)22(25)27-24/h4-5,10-12,21H,6-9,13H2,1-3H3,(H2,25,26,27)
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 5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenoceptor site by displacement of [3H]-clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225474
PNG
(CHEMBL154844)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cc(ccc2O1)C(C)=O
Show InChI InChI=1S/C25H27N5O6/c1-14(31)15-4-5-18-21(10-15)35-13-22(36-18)24(32)29-6-8-30(9-7-29)25-27-17-12-20(34-3)19(33-2)11-16(17)23(26)28-25/h4-5,10-12,22H,6-9,13H2,1-3H3,(H2,26,27,28)
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 6.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225748
PNG
(CHEMBL424516)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C(C)C1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C24H27N5O5/c1-14-12-28(24-26-16-11-20(32-3)19(31-2)10-15(16)22(25)27-24)8-9-29(14)23(30)21-13-33-17-6-4-5-7-18(17)34-21/h4-7,10-11,14,21H,8-9,12-13H2,1-3H3,(H2,25,26,27)
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 6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225519
PNG
(CHEMBL154686)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccc(cc2O1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C25H30N6O7S/c1-29(2)39(33,34)15-5-6-18-21(11-15)38-22(14-37-18)24(32)30-7-9-31(10-8-30)25-27-17-13-20(36-4)19(35-3)12-16(17)23(26)28-25/h5-6,11-13,22H,7-10,14H2,1-4H3,(H2,26,27,28)
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 6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225749
PNG
(CHEMBL155532)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cccc(C(C)C)c2O1
Show InChI InChI=1S/C26H31N5O5/c1-15(2)16-6-5-7-19-23(16)36-22(14-35-19)25(32)30-8-10-31(11-9-30)26-28-18-13-21(34-4)20(33-3)12-17(18)24(27)29-26/h5-7,12-13,15,22H,8-11,14H2,1-4H3,(H2,27,28,29)
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 6.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225445
PNG
(CHEMBL154088)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cc(C)c(C)cc2O1
Show InChI InChI=1S/C25H29N5O5/c1-14-9-20-21(10-15(14)2)35-22(13-34-20)24(31)29-5-7-30(8-6-29)25-27-17-12-19(33-4)18(32-3)11-16(17)23(26)28-25/h9-12,22H,5-8,13H2,1-4H3,(H2,26,27,28)
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 7.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227377
PNG
(CHEMBL414822)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N(C)C
Show InChI InChI=1S/C13H17N3O2/c1-16(2)13-6-9(14)8-5-11(17-3)12(18-4)7-10(8)15-13/h5-7H,1-4H3,(H2,14,15)
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 11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227377
PNG
(CHEMBL414822)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N(C)C
Show InChI InChI=1S/C13H17N3O2/c1-16(2)13-6-9(14)8-5-11(17-3)12(18-4)7-10(8)15-13/h5-7H,1-4H3,(H2,14,15)
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 11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin

J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225694
PNG
(CHEMBL153815)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cc(Cl)ccc2O1
Show InChI InChI=1S/C23H24ClN5O5/c1-31-17-10-14-15(11-18(17)32-2)26-23(27-21(14)25)29-7-5-28(6-8-29)22(30)20-12-33-19-9-13(24)3-4-16(19)34-20/h3-4,9-11,20H,5-8,12H2,1-2H3,(H2,25,26,27)
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 13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225447
PNG
(CHEMBL154119)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cc(Cl)c(Cl)cc2O1
Show InChI InChI=1S/C23H23Cl2N5O5/c1-32-16-7-12-15(10-17(16)33-2)27-23(28-21(12)26)30-5-3-29(4-6-30)22(31)20-11-34-18-8-13(24)14(25)9-19(18)35-20/h7-10,20H,3-6,11H2,1-2H3,(H2,26,27,28)
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 13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227375
PNG
(CHEMBL8338)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCNCC1
Show InChI InChI=1S/C15H20N4O2/c1-20-13-7-10-11(16)8-15(19-5-3-17-4-6-19)18-12(10)9-14(13)21-2/h7-9,17H,3-6H2,1-2H3,(H2,16,18)
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 30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50227371
PNG
(CHEMBL276701)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H24N4O2/c1-26-19-12-16-17(22)13-21(23-18(16)14-20(19)27-2)25-10-8-24(9-11-25)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,22,23)
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 52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]clonidine

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50227372
PNG
(CHEMBL8585)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C
Show InChI InChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24)
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 55n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]clonidine

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50227369
PNG
(CHEMBL268416)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3/c1-29-19-12-16-17(23)13-21(25-18(16)14-20(19)30-2)26-8-10-27(11-9-26)22(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,24,28)
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 66n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]clonidine

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227382
PNG
(CHEMBL8588)
Show SMILES COc1cc2cc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H22N4O4/c1-26-16-10-13-11-18(22-19(21)14(13)12-17(16)27-2)23-5-7-24(8-6-23)20(25)15-4-3-9-28-15/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)
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 160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin

J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-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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 4.83E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor by displacement of [3H]clonidine

J Med Chem 31: 1036-9 (1988)


BindingDB Entry DOI: 10.7270/Q2639RZK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-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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 4.83E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-2 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration

J Med Chem 30: 49-57 (1987)


BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-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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 4.83E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]clonidine

J Med Chem 31: 1031-5 (1988)


BindingDB Entry DOI: 10.7270/Q29W0HPJ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316640
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)12-13-32-5-2)22(26-19-14-16(3)6-9-25-19)28-23(27-20)30-10-7-17(15-24)8-11-30/h6,9,14,17H,4-5,7-8,10-13,15,24H2,1-3H3,(H,25,26,27,28)
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n/an/a 0.00700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316638
PNG
(1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(30-18)12-13-32-5-2)22(27-19-14-16(3)6-11-25-19)29-23(28-20)26-15-17-7-9-24-10-8-17/h6,11,14,17,24H,4-5,7-10,12-13,15H2,1-3H3,(H2,25,26,27,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316647
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H31N7O3/c1-4-17-19-20(30(28-17)12-13-33-5-2)21(25-18-14-15(3)6-9-24-18)27-23(26-19)29-10-7-16(8-11-29)22(31)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H,31,32)(H,24,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316646
PNG
(1-(1-(2-ethoxyethyl)-3-methyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H29N7O3/c1-4-32-12-11-29-19-18(15(3)27-29)25-22(28-9-6-16(7-10-28)21(30)31)26-20(19)24-17-13-14(2)5-8-23-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H,30,31)(H,23,24,25,26)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50316651
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccccc3)c12)N1CCNCC1
Show InChI InChI=1S/C21H29N7O/c1-3-17-18-19(28(26-17)14-15-29-4-2)20(23-16-8-6-5-7-9-16)25-21(24-18)27-12-10-22-11-13-27/h5-9,22H,3-4,10-15H2,1-2H3,(H,23,24,25)
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n/an/a 0.0700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay

Bioorg Med Chem Lett 20: 3120-4 (2010)


BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
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