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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'szabo' and Initial = 'l'   
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))		BDBM50227885
PNG
(CHEMBL264721)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(\S)=N\c1ccccc1
Show InChI InChI=1S/C21H24N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H2,22,24,25)
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n/an/a 0.00692n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
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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n/an/a 0.162n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227843
PNG
(CHEMBL414196)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CC1c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c1-31-20-13-18-19(14-21(20)32-2)26-24(27-22(18)25)29-10-8-28(9-11-29)23(30)17-12-16(17)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H2,25,26,27)
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n/an/a 0.513n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227844
PNG
(CHEMBL268768)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+
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n/an/a 0.692n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227842
PNG
(CHEMBL6339)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CC2CC1C=C2 |c:32,THB:21:23:28.29:26|
Show InChI InChI=1S/C22H27N5O3/c1-29-18-11-16-17(12-19(18)30-2)24-22(25-20(16)23)27-7-5-26(6-8-27)21(28)15-10-13-3-4-14(15)9-13/h3-4,11-15H,5-10H2,1-2H3,(H2,23,24,25)
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n/an/a 1.60n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227887
PNG
(CHEMBL263077)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,24,25,26)
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n/an/a 3.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227882
PNG
(CHEMBL6347)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C24H27N5O4/c1-31-17-7-4-16(5-8-17)6-9-22(30)28-10-12-29(13-11-28)24-26-19-15-21(33-3)20(32-2)14-18(19)23(25)27-24/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27)/b9-6+
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n/an/a 3.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227894
PNG
(CHEMBL6340)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\C=C\C
Show InChI InChI=1S/C20H25N5O3/c1-4-5-6-7-18(26)24-8-10-25(11-9-24)20-22-15-13-17(28-3)16(27-2)12-14(15)19(21)23-20/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23)/b5-4+,7-6+
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n/an/a 4.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227851
PNG
(CHEMBL266223)
Show SMILES COC(=O)\C=C\C(=O)Nc1ccc(CCCCC(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C30H36N6O6/c1-40-24-18-22-23(19-25(24)41-2)33-30(34-29(22)31)36-16-14-35(15-17-36)27(38)7-5-4-6-20-8-10-21(11-9-20)32-26(37)12-13-28(39)42-3/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,32,37)(H2,31,33,34)/b13-12+
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n/an/a 4.5n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227892
PNG
(CHEMBL6208)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(\S)=N\C1CCCCC1
Show InChI InChI=1S/C21H30N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,23,30)(H2,22,24,25)
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n/an/a 5.40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227880
PNG
(CHEMBL429379)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1=CC2CCC1C=C2 |c:33,t:26,TLB:21:23:29.30:27.26|
Show InChI InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14/h3,5,11-15H,4,6-10H2,1-2H3,(H2,24,25,26)
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n/an/a 7.60n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227876
PNG
(CHEMBL415285)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H25N5O4S/c1-14-4-6-15(7-5-14)31(27,28)26-10-8-25(9-11-26)21-23-17-13-19(30-3)18(29-2)12-16(17)20(22)24-21/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227893
PNG
(CHEMBL266081)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cccc(CCl)c1
Show InChI InChI=1S/C22H24ClN5O3/c1-30-18-11-16-17(12-19(18)31-2)25-22(26-20(16)24)28-8-6-27(7-9-28)21(29)15-5-3-4-14(10-15)13-23/h3-5,10-12H,6-9,13H2,1-2H3,(H2,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227899
PNG
(CHEMBL6351)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+
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n/an/a 13n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227884
PNG
(CHEMBL6366)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C22H25N5O4/c1-29-18-12-16-17(13-19(18)30-2)24-22(25-21(16)23)27-10-8-26(9-11-27)20(28)14-31-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H2,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227886
PNG
(CHEMBL415103)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1OC1c1ccccc1
Show InChI InChI=1S/C23H25N5O4/c1-30-17-12-15-16(13-18(17)31-2)25-23(26-21(15)24)28-10-8-27(9-11-28)22(29)20-19(32-20)14-6-4-3-5-7-14/h3-7,12-13,19-20H,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227897
PNG
(CHEMBL6313)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(\S)=N\c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C21H23N9O2S/c1-31-17-11-15-16(12-18(17)32-2)25-20(26-19(15)22)29-7-9-30(10-8-29)21(33)24-13-3-5-14(6-4-13)27-28-23/h3-6,11-12H,7-10H2,1-2H3,(H,24,33)(H2,22,25,26)
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n/an/a 20n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227877
PNG
(CHEMBL6348)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1cccc(F)c1
Show InChI InChI=1S/C23H24FN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-10-8-28(9-11-29)21(30)7-6-15-4-3-5-16(24)12-15/h3-7,12-14H,8-11H2,1-2H3,(H2,25,26,27)/b7-6+
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n/an/a 21n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227883
PNG
(CHEMBL6358)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+
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n/an/a 23n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227888
PNG
(CHEMBL6218)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25)
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n/an/a 28n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227878
PNG
(CHEMBL6219)
Show SMILES COC(=O)\C=C\C(=O)Nc1ccc(\C=C\C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C28H30N6O6/c1-38-22-16-20-21(17-23(22)39-2)31-28(32-27(20)29)34-14-12-33(13-15-34)25(36)10-6-18-4-7-19(8-5-18)30-24(35)9-11-26(37)40-3/h4-11,16-17H,12-15H2,1-3H3,(H,30,35)(H2,29,31,32)/b10-6+,11-9+
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n/an/a 30n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227898
PNG
(CHEMBL112998)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H21N5O4S2/c1-26-14-10-12-13(11-15(14)27-2)20-18(21-17(12)19)22-5-7-23(8-6-22)29(24,25)16-4-3-9-28-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)
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n/an/a 34n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227881
PNG
(CHEMBL6306)
Show SMILES COC(=O)\C=C\C=C\C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H25N5O5/c1-29-16-12-14-15(13-17(16)30-2)23-21(24-20(14)22)26-10-8-25(9-11-26)18(27)6-4-5-7-19(28)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)/b6-4+,7-5+
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n/an/a 39n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membrane...

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227850
PNG
(CHEMBL6342)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(\F)=C\c1ccccc1
Show InChI InChI=1S/C23H24FN5O3/c1-31-19-13-16-18(14-20(19)32-2)26-23(27-21(16)25)29-10-8-28(9-11-29)22(30)17(24)12-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,25,26,27)/b17-12-
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n/an/a 40n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227845
PNG
(CHEMBL6323)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H25N5O3/c1-32-21-14-19-20(15-22(21)33-2)27-25(28-23(19)26)30-11-9-29(10-12-30)24(31)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13-15H,9-12H2,1-2H3,(H2,26,27,28)
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n/an/a 49n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227895
PNG
(CHEMBL447227)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(N=C=S)c(I)c1
Show InChI InChI=1S/C22H21IN6O3S/c1-31-18-10-14-17(11-19(18)32-2)26-22(27-20(14)24)29-7-5-28(6-8-29)21(30)13-3-4-16(25-12-33)15(23)9-13/h3-4,9-11H,5-8H2,1-2H3,(H2,24,26,27)
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n/an/a 51n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227890
PNG
(CHEMBL6343)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C25H27BrN6O4/c1-35-20-13-18-19(14-21(20)36-2)29-25(30-24(18)27)32-11-9-31(10-12-32)23(34)8-5-16-3-6-17(7-4-16)28-22(33)15-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,33)(H2,27,29,30)/b8-5+
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n/an/a 68n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227891
PNG
(CHEMBL6290)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C23H24BrN5O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27)/b8-5+
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n/an/a 79n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227889
PNG
(CHEMBL6321)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\C(=O)c1ccccc1
Show InChI InChI=1S/C24H25N5O4/c1-32-20-14-17-18(15-21(20)33-2)26-24(27-23(17)25)29-12-10-28(11-13-29)22(31)9-8-19(30)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,27)/b9-8+
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n/an/a 87n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227879
PNG
(CHEMBL6302)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(\S)=N\c1ccc(NC(=S)N2CC2)cc1
Show InChI InChI=1S/C24H28N8O2S2/c1-33-19-13-17-18(14-20(19)34-2)28-22(29-21(17)25)30-7-9-31(10-8-30)23(35)26-15-3-5-16(6-4-15)27-24(36)32-11-12-32/h3-6,13-14H,7-12H2,1-2H3,(H,26,35)(H,27,36)(H2,25,28,29)
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n/an/a 98n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227896
PNG
(CHEMBL6314)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccc(cc1)N=C=S
Show InChI InChI=1S/C24H24N6O3S/c1-32-20-13-18-19(14-21(20)33-2)27-24(28-23(18)25)30-11-9-29(10-12-30)22(31)8-5-16-3-6-17(7-4-16)26-15-34/h3-8,13-14H,9-12H2,1-2H3,(H2,25,27,28)/b8-5+
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n/an/a 102n/an/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
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n/an/an/an/a 770n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
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n/an/an/an/a 70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50164570
PNG
((3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/an/a 450n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))		BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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n/an/an/an/a 1.23E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
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n/an/an/an/a 250n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...

Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227844
PNG
(CHEMBL268768)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+
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n/an/an/a 0.412n/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for receptor binding affinity using 100 nM concentration on rat cerebral cortical membranes

J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair