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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50012519   
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))		BDBM50119933
PNG
(1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1
Show InChI InChI=1S/C21H26ClN3O2S/c22-20-8-6-18(7-9-20)16-24-14-12-23(13-15-24)10-3-11-25-21-5-2-1-4-19(21)17-28(25,26)27/h1-2,4-9H,3,10-17H2
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 36n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50092053
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)15-23-11-13-24(14-12-23)16-21(26)25-10-9-18-3-1-2-4-20(18)25/h1-8H,9-16H2
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 88n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119945
PNG
(2-[1-(3-Methyl-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(C)c2)CC1
Show InChI InChI=1S/C24H30N2O/c1-18-6-5-7-21(14-18)17-25-12-10-20(11-13-25)16-24(27)26-19(2)15-22-8-3-4-9-23(22)26/h3-9,14,19-20H,10-13,15-17H2,1-2H3
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 95n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119908
PNG
(2-[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-1-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C24H29FN2O/c1-17-7-8-20(14-22(17)25)16-26-11-9-19(10-12-26)15-24(28)27-18(2)13-21-5-3-4-6-23(21)27/h3-8,14,18-19H,9-13,15-16H2,1-2H3
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 103n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119904
PNG
(2-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-1...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(CCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H28ClN3O/c1-18-16-20-4-2-3-5-22(20)27(18)23(28)17-26-14-12-25(13-15-26)11-10-19-6-8-21(24)9-7-19/h2-9,18H,10-17H2,1H3
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 115n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119927
PNG
(2-[1-(3-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C23H27FN2O/c1-17-13-20-6-2-3-8-22(20)26(17)23(27)15-18-9-11-25(12-10-18)16-19-5-4-7-21(24)14-19/h2-8,14,17-18H,9-13,15-16H2,1H3
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 118n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119894
PNG
(2-[1-(3,4-Dimethyl-benzyl)-piperidin-4-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(C)c2)CC1
Show InChI InChI=1S/C25H32N2O/c1-18-8-9-22(14-19(18)2)17-26-12-10-21(11-13-26)16-25(28)27-20(3)15-23-6-4-5-7-24(23)27/h4-9,14,20-21H,10-13,15-17H2,1-3H3
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 118n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119929
PNG
(2-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C23H27ClN2O/c1-17-13-20-6-2-3-8-22(20)26(17)23(27)15-18-9-11-25(12-10-18)16-19-5-4-7-21(24)14-19/h2-8,14,17-18H,9-13,15-16H2,1H3
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 127n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119958
PNG
(2-[1-(4-Methoxy-benzyl)-piperidin-4-yl]-1-(2-methy...)
Show SMILES COc1ccc(CN2CCC(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-18-15-21-5-3-4-6-23(21)26(18)24(27)16-19-11-13-25(14-12-19)17-20-7-9-22(28-2)10-8-20/h3-10,18-19H,11-17H2,1-2H3
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 142n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D2 receptor, using [3H]-YM-09151 as a radioligand

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119883
PNG
(1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1
Show InChI InChI=1S/C20H24ClN3O2S/c21-19-7-5-17(6-8-19)15-23-11-9-22(10-12-23)13-14-24-20-4-2-1-3-18(20)16-27(24,25)26/h1-8H,9-16H2
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 161n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119926
PNG
(2-[1-(4-Chloro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H27ClN2O/c1-17-14-20-4-2-3-5-22(20)26(17)23(27)15-18-10-12-25(13-11-18)16-19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3
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 162n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119910
PNG
(2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27FN2O/c1-17-14-20-4-2-3-5-22(20)26(17)23(27)15-18-10-12-25(13-11-18)16-19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3
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 236n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119954
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(4-fluoro...)
Show SMILES Fc1cccc2N(CCc12)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H23ClFN3O/c22-17-6-4-16(5-7-17)14-24-10-12-25(13-11-24)15-21(27)26-9-8-18-19(23)2-1-3-20(18)26/h1-7H,8-15H2
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 261n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119919
PNG
(2-[4-(4-tert-Butyl-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H35N3O/c1-20-17-22-7-5-6-8-24(22)29(20)25(30)19-28-15-13-27(14-16-28)18-21-9-11-23(12-10-21)26(2,3)4/h5-12,20H,13-19H2,1-4H3
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 320n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119898
PNG
(2-[1-(4-Methyl-benzyl)-piperidin-4-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30N2O/c1-18-7-9-21(10-8-18)17-25-13-11-20(12-14-25)16-24(27)26-19(2)15-22-5-3-4-6-23(22)26/h3-10,19-20H,11-17H2,1-2H3
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 327n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119899
PNG
(2-[4-(4-Isopropyl-benzyl)-piperazin-1-yl]-1-(2-met...)
Show SMILES CC(C)c1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H33N3O/c1-19(2)22-10-8-21(9-11-22)17-26-12-14-27(15-13-26)18-25(29)28-20(3)16-23-6-4-5-7-24(23)28/h4-11,19-20H,12-18H2,1-3H3
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 504n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119950
PNG
((1S,2R)-4-(4-Chloro-benzyl)-1-[2-(2,3-dihydro-indo...)
Show SMILES C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@+]1(C)CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C23H29ClN3O/c1-18-15-25(16-19-7-9-21(24)10-8-19)13-14-27(18,2)17-23(28)26-12-11-20-5-3-4-6-22(20)26/h3-10,18H,11-17H2,1-2H3/q+1/t18-,27+/m1/s1
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 508n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119902
PNG
(2-[(R)-4-(4-Chloro-benzyl)-2-methyl-piperazin-1-yl...)
Show SMILES C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-24(15-18-6-8-20(23)9-7-18)12-13-25(17)16-22(27)26-11-10-19-4-2-3-5-21(19)26/h2-9,17H,10-16H2,1H3/t17-/m1/s1
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 594n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119906
PNG
(1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...)
Show SMILES Clc1ccc(CN2CCN(CCN3C(=O)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-19-7-5-17(6-8-19)16-24-11-9-23(10-12-24)13-14-25-20-4-2-1-3-18(20)15-21(25)26/h1-8H,9-16H2
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 598n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119949
PNG
(2-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O/c1-17-14-19-4-2-3-5-21(19)26(17)22(27)16-25-12-10-24(11-13-25)15-18-6-8-20(23)9-7-18/h2-9,17H,10-16H2,1H3
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 671n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119960
PNG
(2-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-1-(2-methy...)
Show SMILES COc1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C23H29N3O2/c1-18-15-20-5-3-4-6-22(20)26(18)23(27)17-25-13-11-24(12-14-25)16-19-7-9-21(28-2)10-8-19/h3-10,18H,11-17H2,1-2H3
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 872n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119931
PNG
(2-[4-(4-chlorobenzyl)hexahydro-1-pyrazinyl]-1-spir...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC33CCCC3)CC2)cc1
Show InChI InChI=1S/C25H30ClN3O/c26-22-9-7-20(8-10-22)18-27-13-15-28(16-14-27)19-24(30)29-23-6-2-1-5-21(23)17-25(29)11-3-4-12-25/h1-2,5-10H,3-4,11-19H2
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 909n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119881
PNG
(2-{4-[1-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-1...)
Show SMILES CC(N1CCN(CC(=O)N2C(C)Cc3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClN3O/c1-17-15-20-5-3-4-6-22(20)27(17)23(28)16-25-11-13-26(14-12-25)18(2)19-7-9-21(24)10-8-19/h3-10,17-18H,11-16H2,1-2H3
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 937n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119918
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(4-methox...)
Show SMILES COc1cccc2N(CCc12)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H26ClN3O2/c1-28-21-4-2-3-20-19(21)9-10-26(20)22(27)16-25-13-11-24(12-14-25)15-17-5-7-18(23)8-6-17/h2-8H,9-16H2,1H3
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 972n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119961
PNG
(2-[4-(4-chlorobenzyl)hexahydro-1-pyrazinyl]-1-spir...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3c4ccccc4CC33CCCCC3)CC2)cc1
Show InChI InChI=1S/C26H32ClN3O/c27-23-10-8-21(9-11-23)19-28-14-16-29(17-15-28)20-25(31)30-24-7-3-2-6-22(24)18-26(30)12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-20H2
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 983n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119941
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(4-chloro...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCc4c3cccc4Cl)CC2)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c22-17-6-4-16(5-7-17)14-24-10-12-25(13-11-24)15-21(27)26-9-8-18-19(23)2-1-3-20(18)26/h1-7H,8-15H2
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 988n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119951
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[4-(3-triflu...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C23H26F3N3O2/c1-17-13-19-6-2-3-8-21(19)29(17)22(30)16-28-11-9-27(10-12-28)15-18-5-4-7-20(14-18)31-23(24,25)26/h2-8,14,17H,9-13,15-16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119955
PNG
(1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-acetyl}-...)
Show SMILES CN(C)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H29ClN4O3S/c1-25(2)32(30,31)21-7-8-22-19(15-21)9-10-28(22)23(29)17-27-13-11-26(12-14-27)16-18-3-5-20(24)6-4-18/h3-8,15H,9-14,16-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119903
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2,4-tr...)
Show SMILES CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H32ClN3O/c1-19-16-25(2,3)29(23-7-5-4-6-22(19)23)24(30)18-28-14-12-27(13-15-28)17-20-8-10-21(26)11-9-20/h4-11,19H,12-18H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119948
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CCC(=O)N3CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C22H26ClN3O/c23-20-7-5-18(6-8-20)17-25-15-13-24(14-16-25)11-10-22(27)26-12-9-19-3-1-2-4-21(19)26/h1-8H,9-17H2
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Dopamine receptor D2 functional activity was assessed via inhibition of forskolin stimulated cAMP production from Whole cells

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119913
PNG
(2-[4-(2-Methoxy-benzyl)-piperazin-1-yl]-1-(2-methy...)
Show SMILES COc1ccccc1CN1CCN(CC(=O)N2C(C)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O2/c1-18-15-19-7-3-5-9-21(19)26(18)23(27)17-25-13-11-24(12-14-25)16-20-8-4-6-10-22(20)28-2/h3-10,18H,11-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Dopamine D4 receptor functional activity was assessed via inhibition of quinpirole stimulated [35S]-GTP-gammaS binding from cell membranes.

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119896
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(5-nitro-...)
Show SMILES [O-][N+](=O)c1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H23ClN4O3/c22-18-3-1-16(2-4-18)14-23-9-11-24(12-10-23)15-21(27)25-8-7-17-13-19(26(28)29)5-6-20(17)25/h1-6,13H,7-12,14-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119897
PNG
(CHEMBL419911 | [4-(4-Chloro-benzyl)-piperazin-1-yl...)
Show SMILES Clc1ccc(CN2CCN(CC2)C(=O)N2CCc3ccccc23)cc1
Show InChI InChI=1S/C20H22ClN3O/c21-18-7-5-16(6-8-18)15-22-11-13-23(14-12-22)20(25)24-10-9-17-3-1-2-4-19(17)24/h1-8H,9-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119895
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(5-methyl...)
Show SMILES CSc1ccc2N(CCc2c1)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H26ClN3OS/c1-28-20-6-7-21-18(14-20)8-9-26(21)22(27)16-25-12-10-24(11-13-25)15-17-2-4-19(23)5-3-17/h2-7,14H,8-13,15-16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119928
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2-isobut...)
Show SMILES CC(C)CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H32ClN3O/c1-19(2)15-23-16-21-5-3-4-6-24(21)29(23)25(30)18-28-13-11-27(12-14-28)17-20-7-9-22(26)10-8-20/h3-10,19,23H,11-18H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119891
PNG
(2-[4-(3,5-Dichloro-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C22H25Cl2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119937
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(octahydr...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCCC4CCCCC34)CC2)cc1
Show InChI InChI=1S/C22H32ClN3O/c23-20-9-7-18(8-10-20)16-24-12-14-25(15-13-24)17-22(27)26-11-3-5-19-4-1-2-6-21(19)26/h7-10,19,21H,1-6,11-17H2
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119900
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2,4,7-...)
Show SMILES CC1CC(C)(C)N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2cc(C)ccc12
Show InChI InChI=1S/C26H34ClN3O/c1-19-5-10-23-20(2)16-26(3,4)30(24(23)15-19)25(31)18-29-13-11-28(12-14-29)17-21-6-8-22(27)9-7-21/h5-10,15,20H,11-14,16-18H2,1-4H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119909
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(6-fluoro...)
Show SMILES CC1CCc2cc(F)ccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H27ClFN3O/c1-17-2-5-19-14-21(25)8-9-22(19)28(17)23(29)16-27-12-10-26(11-13-27)15-18-3-6-20(24)7-4-18/h3-4,6-9,14,17H,2,5,10-13,15-16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119932
PNG
(3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Clc1ccc(CN2CCN(CCn3c4ccccc4sc3=O)CC2)cc1
Show InChI InChI=1S/C20H22ClN3OS/c21-17-7-5-16(6-8-17)15-23-11-9-22(10-12-23)13-14-24-18-3-1-2-4-19(18)26-20(24)25/h1-8H,9-15H2
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 1.05E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119925
PNG
(2-[4-(4-Ethyl-benzyl)-piperazin-1-yl]-1-(2-methyl-...)
Show SMILES CCc1ccc(CN2CCN(CC(=O)N3C(C)Cc4ccccc34)CC2)cc1
Show InChI InChI=1S/C24H31N3O/c1-3-20-8-10-21(11-9-20)17-25-12-14-26(15-13-25)18-24(28)27-19(2)16-22-6-4-5-7-23(22)27/h4-11,19H,3,12-18H2,1-2H3
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 1.18E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119892
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3
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 1.26E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119936
PNG
(2-[(2S,5R)-4-(4-Chloro-benzyl)-2,5-dimethyl-pipera...)
Show SMILES C[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C23H28ClN3O/c1-17-14-26(16-23(28)27-12-11-20-5-3-4-6-22(20)27)18(2)13-25(17)15-19-7-9-21(24)10-8-19/h3-10,17-18H,11-16H2,1-2H3/t17-,18+/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119889
PNG
(2-[4-(2-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-3-4-9-21(18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-20-8-5-6-10-22(20)26/h3-10,19H,11-17H2,1-2H3
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 1.32E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119884
PNG
(3-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Clc1ccc(CN2CCN(CCn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H22ClN3O2/c21-17-7-5-16(6-8-17)15-23-11-9-22(10-12-23)13-14-24-18-3-1-2-4-19(18)26-20(24)25/h1-8H,9-15H2
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 1.69E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119890
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(3-methyl...)
Show SMILES CC1CN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H26ClN3O/c1-17-14-26(21-5-3-2-4-20(17)21)22(27)16-25-12-10-24(11-13-25)15-18-6-8-19(23)9-7-18/h2-9,17H,10-16H2,1H3
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 1.80E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119921
PNG
(2-[4-(3,5-Difluoro-benzyl)-piperazin-1-yl]-1-(2-me...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)cc(F)c2)CC1
Show InChI InChI=1S/C22H25F2N3O/c1-16-10-18-4-2-3-5-21(18)27(16)22(28)15-26-8-6-25(7-9-26)14-17-11-19(23)13-20(24)12-17/h2-5,11-13,16H,6-10,14-15H2,1H3
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 2.06E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119963
PNG
(2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1...)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30ClN3O/c1-21-19-24-9-5-6-10-26(24)32(21)27(33)20-30-15-17-31(18-16-30)28(22-7-3-2-4-8-22)23-11-13-25(29)14-12-23/h2-14,21,28H,15-20H2,1H3
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 2.08E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119947
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2-ethyl-...)
Show SMILES CCC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H28ClN3O/c1-2-21-15-19-5-3-4-6-22(19)27(21)23(28)17-26-13-11-25(12-14-26)16-18-7-9-20(24)10-8-18/h3-10,21H,2,11-17H2,1H3
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 2.20E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50119957
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihy...)
Show SMILES Clc1ccc(CN2CCN(CC(=O)N3CCSc4ccccc34)CC2)cc1
Show InChI InChI=1S/C21H24ClN3OS/c22-18-7-5-17(6-8-18)15-23-9-11-24(12-10-23)16-21(26)25-13-14-27-20-4-2-1-3-19(20)25/h1-8H,9-16H2
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 2.30E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...

Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
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