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PubMed code 2896245

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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))		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))		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))		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))		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))		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))		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-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
* indicates data uncertainty>20%