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Compile Data Set for Download or QSAR

Found 87 hits of ic50 for UniProtKB: P18130   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Alpha-1A adrenergic receptor


(CALF)		BDBM50064576
PNG
(7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
Show InChI InChI=1S/C22H27N3O3/c1-23-18-8-7-17(15-21(18)28-16-22(23)26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14,16H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064587
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)9-8-15-6-7-16-19(14-15)26-20(24)21-16/h2-7,14H,8-13H2,1H3,(H,21,24)
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064578
PNG
(6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-27-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-5-4-6-17-9-10-18-21(16-17)28-22(26)23-18/h2-3,7-10,16H,4-6,11-15H2,1H3,(H,23,26)
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n/an/a 0.820n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 1n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064583
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064588
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-22-18-8-7-16(15-20(18)27-21(22)25)9-10-23-11-13-24(14-12-23)17-5-3-4-6-19(17)26-2/h3-8,15H,9-14H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50057463
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned bovine Alpha-1A adrenergic receptor

J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 20n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064577
PNG
(7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(C)C(=O)COc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-25-20-11-10-19(17-23(20)30-18-24(25)28)7-5-6-12-26-13-15-27(16-14-26)21-8-3-4-9-22(21)29-2/h3-4,8-11,17H,5-7,12-16,18H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224793
PNG
(CHEMBL330997)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2C
Show InChI InChI=1S/C14H16N2O/c1-16-5-6-17-14-10-3-2-4-11-13(10)9(8-15-11)7-12(14)16/h2-4,8,12,14-15H,5-7H2,1H3/t12-,14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064584
PNG
(4-Methyl-7-{4-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H28F3N3O2/c1-28-21-9-8-18(15-22(21)32-17-23(28)31)5-2-3-10-29-11-13-30(14-12-29)20-7-4-6-19(16-20)24(25,26)27/h4,6-9,15-16H,2-3,5,10-14,17H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064589
PNG
(6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-24-20-11-10-18(17-22(20)29-23(24)27)7-5-6-12-25-13-15-26(16-14-25)19-8-3-4-9-21(19)28-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064579
PNG
(6-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccc(F)cc3)cc2sc1=O
Show InChI InChI=1S/C20H22FN3OS/c1-22-18-7-2-15(14-19(18)26-20(22)25)8-9-23-10-12-24(13-11-23)17-5-3-16(21)4-6-17/h2-7,14H,8-13H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224791
PNG
(CHEMBL333795 | RU-29717)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC
Show InChI InChI=1S/C16H20N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,10,14,16-17H,2,6-9H2,1H3/t14-,16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064590
PNG
(6-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H24F3N3OS/c23-22(24,25)17-5-3-6-18(15-17)28-12-10-27(11-13-28)9-2-1-4-16-7-8-19-20(14-16)30-21(29)26-19/h3,5-8,14-15H,1-2,4,9-13H2,(H,26,29)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224795
PNG
(CHEMBL332337)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCCC
Show InChI InChI=1S/C17H22N2O/c1-2-3-7-19-8-9-20-17-13-5-4-6-14-16(13)12(11-18-14)10-15(17)19/h4-6,11,15,17-18H,2-3,7-10H2,1H3/t15-,17-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224794
PNG
(CHEMBL121653)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2
Show InChI InChI=1S/C13H14N2O/c1-2-9-12-8(7-15-10(12)3-1)6-11-13(9)16-5-4-14-11/h1-3,7,11,13-15H,4-6H2/t11-,13-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064574
PNG
(4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C22H24F3N3O2/c1-26-19-6-5-16(13-20(19)30-15-21(26)29)7-8-27-9-11-28(12-10-27)18-4-2-3-17(14-18)22(23,24)25/h2-6,13-14H,7-12,15H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064573
PNG
(6-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C20H20F3N3OS/c21-20(22,23)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-17-18(12-14)28-19(27)24-17/h1-5,12-13H,6-11H2,(H,24,27)
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n/an/a 90n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity, [3H]serotonin from calf caudate nucleus

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064572
PNG
(3-Methyl-6-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C20H23N3OS/c1-21-18-8-7-16(15-19(18)25-20(21)24)9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
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n/an/a>100n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50368446
PNG
(CHEMBL1203299)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C22H26N2O4S/c1-29(26,27)23-18-7-8-21-19(15-18)20(25)16-22(28-21)10-13-24(14-11-22)12-9-17-5-3-2-4-6-17/h2-8,15,23H,9-14,16H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

J Med Chem 35: 3973-6 (1992)


BindingDB Entry DOI: 10.7270/Q29P327D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064581
PNG
(3-Methyl-6-{4-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES Cn1c2ccc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Show InChI InChI=1S/C23H26F3N3OS/c1-27-20-9-8-17(15-21(20)31-22(27)30)5-2-3-10-28-11-13-29(14-12-28)19-7-4-6-18(16-19)23(24,25)26/h4,6-9,15-16H,2-3,5,10-14H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224792
PNG
(CHEMBL332546)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC=C
Show InChI InChI=1S/C16H18N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h2-5,10,14,16-17H,1,6-9H2/t14-,16-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity [3H]5-HT from calf caudate nucleus

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50064586
PNG
(3-Methyl-6-{2-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Show InChI InChI=1S/C21H22F3N3OS/c1-25-18-6-5-15(13-19(18)29-20(25)28)7-8-26-9-11-27(12-10-26)17-4-2-3-16(14-17)21(22,23)24/h2-6,13-14H,7-12H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin

J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity [3H]5-HT from calf caudate nucleus

J Med Chem 26: 1116-22 (1983)


BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50003331
PNG
(CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

J Med Chem 35: 3973-6 (1992)


BindingDB Entry DOI: 10.7270/Q29P327D
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50368441
PNG
(CHEMBL1203302)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc(cc4)[N+]([O-])=O)CC3)CC(=O)c2c1
Show InChI InChI=1S/C22H25N3O6S/c1-32(29,30)23-17-4-7-21-19(14-17)20(26)15-22(31-21)9-12-24(13-10-22)11-8-16-2-5-18(6-3-16)25(27)28/h2-7,14,23H,8-13,15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor determined in a filtration-based assay using [3H]prazosin as ...

J Med Chem 35: 3973-6 (1992)


BindingDB Entry DOI: 10.7270/Q29P327D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50057486
PNG
(2-[1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihy...)
Show SMILES COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC
Show InChI InChI=1S/C30H34N4O6/c1-35-23-8-7-17(12-24(23)36-2)11-22-19-14-26(38-4)25(37-3)13-18(19)9-10-34(22)30-32-21-16-28(40-6)27(39-5)15-20(21)29(31)33-30/h7-8,12-16,22H,9-11H2,1-6H3,(H2,31,32,33)
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n/an/a 950n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned bovine Alpha-1A adrenergic receptor

J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50036868
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H30N2O5S/c1-3-13-25(18-16-20-21(30-2)10-8-11-22(20)31-17-18)14-6-7-15-26-24(27)19-9-4-5-12-23(19)32(26,28)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50368442
PNG
(CHEMBL1203297)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc(cc4)C#N)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H25N3O4S/c1-31(28,29)25-19-6-7-22-20(14-19)21(27)15-23(30-22)9-12-26(13-10-23)11-8-17-2-4-18(16-24)5-3-17/h2-7,14,25H,8-13,15H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

J Med Chem 35: 3973-6 (1992)


BindingDB Entry DOI: 10.7270/Q29P327D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor


(CALF-BOVINE)		BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex

J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50003335
PNG
(CHEMBL1204345 | CHEMBL129583 | L-691121 | N-[1''-(...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C22H24N4O5S/c1-32(28,29)25-16-3-5-21-17(13-16)20(27)14-22(30-21)7-10-26(11-8-22)9-6-15-2-4-18-19(12-15)24-31-23-18/h2-5,12-13,25H,6-11,14H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

J Med Chem 35: 3973-6 (1992)


BindingDB Entry DOI: 10.7270/Q29P327D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50036853
PNG
((2,3-Dihydro-1H-benzo[f]chromen-2-yl)-dipropyl-ami...)
Show SMILES CCCN(CCC)C1COc2ccc3ccccc3c2C1
Show InChI InChI=1S/C19H25NO/c1-3-11-20(12-4-2)16-13-18-17-8-6-5-7-15(17)9-10-19(18)21-14-16/h5-10,16H,3-4,11-14H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex

J Med Chem 37: 1779-93 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)		BDBM50368447
PNG
(CHEMBL1203301)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(O)c2c1
Show InChI InChI=1S/C22H26N4O5S/c1-32(28,29)25-16-3-5-21-17(13-16)20(27)14-22(30-21)7-10-26(11-8-22)9-6-15-2-4-18-19(12-15)24-31-23-18/h2-5,12-13,20,25,27H,6-11,14H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

J Med Chem 35: 3973-6 (1992)


BindingDB Entry DOI: 10.7270/Q29P327D
More data for this
Ligand-Target Pair
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