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PubMed code 2888896

Compile data set for download or QSAR
Found 20 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))		BDBM50226239
PNG
(CHEMBL50451)
Show SMILES COc1nc(OC)nc(n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H24N8O4/c1-28-13-9-11-12(10-14(13)29-2)21-16(22-15(11)20)26-5-7-27(8-6-26)17-23-18(30-3)25-19(24-17)31-4/h9-10H,5-8H2,1-4H3,(H2,20,21,22)
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 0.0800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226234
PNG
(CHEMBL50979)
Show SMILES COc1cc(nc(OC)n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H25N7O4/c1-28-14-9-12-13(10-15(14)29-2)22-19(25-18(12)21)27-7-5-26(6-8-27)16-11-17(30-3)24-20(23-16)31-4/h9-11H,5-8H2,1-4H3,(H2,21,22,25)
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 0.160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226227
PNG
(CHEMBL52155)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-9-12-13(10-15(14)27-2)22-18(23-17(12)19)25-7-5-24(6-8-25)16-11-20-3-4-21-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,22,23)
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 0.180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226235
PNG
(CHEMBL54288)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(OC(C)C)ncn1
Show InChI InChI=1S/C21H27N7O3/c1-13(2)31-19-11-18(23-12-24-19)27-5-7-28(8-6-27)21-25-15-10-17(30-4)16(29-3)9-14(15)20(22)26-21/h9-13H,5-8H2,1-4H3,(H2,22,25,26)
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 0.180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226233
PNG
(CHEMBL275524)
Show SMILES COc1ccnc(n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H23N7O3/c1-27-14-10-12-13(11-15(14)28-2)22-19(24-17(12)20)26-8-6-25(7-9-26)18-21-5-4-16(23-18)29-3/h4-5,10-11H,6-9H2,1-3H3,(H2,20,22,24)
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 0.190n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
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 against alpha-1-adrenoceptor was determined by displacement of [3H]-prazosin in rat brain homogenates.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226237
PNG
(CHEMBL299584)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccnc(Oc2ccccc2)n1
Show InChI InChI=1S/C24H25N7O3/c1-32-19-14-17-18(15-20(19)33-2)27-23(29-22(17)25)31-12-10-30(11-13-31)21-8-9-26-24(28-21)34-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,27,29)
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 0.240n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226229
PNG
(CHEMBL52439)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-10-12-13(11-15(14)27-2)22-18(23-16(12)19)25-8-6-24(7-9-25)17-20-4-3-5-21-17/h3-5,10-11H,6-9H2,1-2H3,(H2,19,22,23)
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 0.260n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226225
PNG
(CHEMBL50746)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C
Show InChI InChI=1S/C20H26N8O2/c1-26(2)17-5-6-22-19(24-17)27-7-9-28(10-8-27)20-23-14-12-16(30-4)15(29-3)11-13(14)18(21)25-20/h5-6,11-12H,7-10H2,1-4H3,(H2,21,23,25)
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 0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226228
PNG
(CHEMBL50137)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-9-12-13(10-15(14)27-2)22-18(23-17(12)19)25-7-5-24(6-8-25)16-3-4-20-11-21-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,22,23)
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 0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226238
PNG
(CHEMBL301614)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccc(OC(C)C)nn1
Show InChI InChI=1S/C21H27N7O3/c1-13(2)31-19-6-5-18(25-26-19)27-7-9-28(10-8-27)21-23-15-12-17(30-4)16(29-3)11-14(15)20(22)24-21/h5-6,11-13H,7-10H2,1-4H3,(H2,22,23,24)
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 0.290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226241
PNG
(CHEMBL301749)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccnc(n1)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3/c1-31-17-13-15-16(14-18(17)32-2)25-22(27-20(15)23)29-7-5-28(6-8-29)19-3-4-24-21(26-19)30-9-11-33-12-10-30/h3-4,13-14H,5-12H2,1-2H3,(H2,23,25,27)
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 0.310n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226230
PNG
(CHEMBL50084)
Show SMILES CCCOc1ccnc(n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H27N7O3/c1-4-11-31-18-5-6-23-20(25-18)27-7-9-28(10-8-27)21-24-15-13-17(30-3)16(29-2)12-14(15)19(22)26-21/h5-6,12-13H,4,7-11H2,1-3H3,(H2,22,24,26)
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 0.320n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226242
PNG
(CHEMBL51056)
Show SMILES CCCOc1cc(ncn1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H27N7O3/c1-4-9-31-19-12-18(23-13-24-19)27-5-7-28(8-6-27)21-25-15-11-17(30-3)16(29-2)10-14(15)20(22)26-21/h10-13H,4-9H2,1-3H3,(H2,22,25,26)
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 0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226231
PNG
(CHEMBL50473)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cccnn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-10-12-13(11-15(14)27-2)21-18(22-17(12)19)25-8-6-24(7-9-25)16-4-3-5-20-23-16/h3-5,10-11H,6-9H2,1-2H3,(H2,19,21,22)
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 0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226232
PNG
(CHEMBL300972)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1nc(N)nc(N)n1
Show InChI InChI=1S/C17H22N10O2/c1-28-11-7-9-10(8-12(11)29-2)21-16(22-13(9)18)26-3-5-27(6-4-26)17-24-14(19)23-15(20)25-17/h7-8H,3-6H2,1-2H3,(H2,18,21,22)(H4,19,20,23,24,25)
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 0.470n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226236
PNG
(CHEMBL300632)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
Show InChI InChI=1S/C29H28N8O4/c1-38-23-17-21-22(18-24(23)39-2)31-26(32-25(21)30)36-13-15-37(16-14-36)27-33-28(40-19-9-5-3-6-10-19)35-29(34-27)41-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H2,30,31,32)
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 0.870n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226240
PNG
(CHEMBL298946)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1nccc(C)n1
Show InChI InChI=1S/C19H23N7O2/c1-12-4-5-21-18(22-12)25-6-8-26(9-7-25)19-23-14-11-16(28-3)15(27-2)10-13(14)17(20)24-19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,23,24)
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 0.920n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226226
PNG
(CHEMBL422581)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C24H25N7O2/c1-32-20-14-17-19(15-21(20)33-2)28-24(29-22(17)25)31-12-10-30(11-13-31)23-26-9-8-18(27-23)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,28,29)
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 1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
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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PubMed
 4.83E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenoceptor was determined by displacement of [3H]-clonidine in rat brain homogenates

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%