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PubMed code 2879919

Compile data set for download or QSAR
Found 21 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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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-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
* indicates data uncertainty>20%