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PubMed code 26643219

Compile data set for download or QSAR
Found 69 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50499996
PNG
(CHEMBL3740019)
Show SMILES Cc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O2/c1-21-6-12-24(13-7-21)30-18-16-29(17-19-30)15-14-22-8-10-23(11-9-22)20-31-27(32)25-4-2-3-5-26(25)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500007
PNG
(CHEMBL3742276)
Show SMILES CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O4S/c1-36(34,35)26-9-5-4-8-25(26)30-18-16-29(17-19-30)15-14-21-10-12-22(13-11-21)20-31-27(32)23-6-2-3-7-24(23)28(31)33/h2-13H,14-20H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500011
PNG
(CHEMBL3739533)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccn3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H26N4O2/c31-25-22-5-1-2-6-23(22)26(32)30(25)19-21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)24-7-3-4-13-27-24/h1-11,13H,12,14-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500006
PNG
(CHEMBL3742253)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)22-9-11-23(12-10-22)33-17-15-32(16-18-33)14-13-20-5-7-21(8-6-20)19-34-26(35)24-3-1-2-4-25(24)27(34)36/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500011
PNG
(CHEMBL3739533)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccn3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H26N4O2/c31-25-22-5-1-2-6-23(22)26(32)30(25)19-21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)24-7-3-4-13-27-24/h1-11,13H,12,14-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500013
PNG
(CHEMBL3740558)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C29H29N3O3/c1-21(33)24-10-12-25(13-11-24)31-18-16-30(17-19-31)15-14-22-6-8-23(9-7-22)20-32-28(34)26-4-2-3-5-27(26)29(32)35/h2-13H,14-20H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50499999
PNG
(CHEMBL3742198)
Show SMILES Clc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-24-7-3-4-8-25(24)30-17-15-29(16-18-30)14-13-20-9-11-21(12-10-20)19-31-26(32)22-5-1-2-6-23(22)27(31)33/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50499998
PNG
(CHEMBL3739762)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O2/c1-29-25-8-4-5-9-26(25)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)20-32-27(33)23-6-2-3-7-24(23)28(32)34/h2-13H,14-20H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500006
PNG
(CHEMBL3742253)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)22-9-11-23(12-10-22)33-17-15-32(16-18-33)14-13-20-5-7-21(8-6-20)19-34-26(35)24-3-1-2-4-25(24)27(34)36/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50499996
PNG
(CHEMBL3740019)
Show SMILES Cc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O2/c1-21-6-12-24(13-7-21)30-18-16-29(17-19-30)15-14-22-8-10-23(11-9-22)20-31-27(32)25-4-2-3-5-26(25)28(31)33/h2-13H,14-20H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500015
PNG
(CHEMBL3741318)
Show SMILES COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O3/c1-34-26-9-5-4-8-25(26)30-18-16-29(17-19-30)15-14-21-10-12-22(13-11-21)20-31-27(32)23-6-2-3-7-24(23)28(31)33/h2-13H,14-20H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500003
PNG
(CHEMBL3742103)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H28ClN3O2/c1-20-6-11-23(29)18-26(20)31-16-14-30(15-17-31)13-12-21-7-9-22(10-8-21)19-32-27(33)24-4-2-3-5-25(24)28(32)34/h2-11,18H,12-17,19H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500003
PNG
(CHEMBL3742103)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H28ClN3O2/c1-20-6-11-23(29)18-26(20)31-16-14-30(15-17-31)13-12-21-7-9-22(10-8-21)19-32-27(33)24-4-2-3-5-25(24)28(32)34/h2-11,18H,12-17,19H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500010
PNG
(CHEMBL3740351)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C29H31N3O3/c1-2-35-27-10-6-5-9-26(27)31-19-17-30(18-20-31)16-15-22-11-13-23(14-12-22)21-32-28(33)24-7-3-4-8-25(24)29(32)34/h3-14H,2,15-21H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500003
PNG
(CHEMBL3742103)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H28ClN3O2/c1-20-6-11-23(29)18-26(20)31-16-14-30(15-17-31)13-12-21-7-9-22(10-8-21)19-32-27(33)24-4-2-3-5-25(24)28(32)34/h2-11,18H,12-17,19H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500001
PNG
(CHEMBL3741483)
Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500016
PNG
(CHEMBL3740874)
Show SMILES Fc1cc(ccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1)C#N
Show InChI InChI=1S/C28H25FN4O2/c29-25-17-22(18-30)9-10-26(25)32-15-13-31(14-16-32)12-11-20-5-7-21(8-6-20)19-33-27(34)23-3-1-2-4-24(23)28(33)35/h1-10,17H,11-16,19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50499998
PNG
(CHEMBL3739762)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O2/c1-29-25-8-4-5-9-26(25)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)20-32-27(33)23-6-2-3-7-24(23)28(32)34/h2-13H,14-20H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50499999
PNG
(CHEMBL3742198)
Show SMILES Clc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-24-7-3-4-8-25(24)30-17-15-29(16-18-30)14-13-20-9-11-21(12-10-20)19-31-26(32)22-5-1-2-6-23(22)27(31)33/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500007
PNG
(CHEMBL3742276)
Show SMILES CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O4S/c1-36(34,35)26-9-5-4-8-25(26)30-18-16-29(17-19-30)15-14-21-10-12-22(13-11-21)20-31-27(32)23-6-2-3-7-24(23)28(31)33/h2-13H,14-20H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500011
PNG
(CHEMBL3739533)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccn3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H26N4O2/c31-25-22-5-1-2-6-23(22)26(32)30(25)19-21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)24-7-3-4-13-27-24/h1-11,13H,12,14-19H2
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n/an/a 50n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500014
PNG
(CHEMBL3741260)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccc(cc3)C#N)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O2/c29-19-22-9-11-24(12-10-22)31-17-15-30(16-18-31)14-13-21-5-7-23(8-6-21)20-32-27(33)25-3-1-2-4-26(25)28(32)34/h1-12H,13-18,20H2
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n/an/a 64n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500006
PNG
(CHEMBL3742253)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)22-9-11-23(12-10-22)33-17-15-32(16-18-33)14-13-20-5-7-21(8-6-20)19-34-26(35)24-3-1-2-4-25(24)27(34)36/h1-12H,13-19H2
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n/an/a 66n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500014
PNG
(CHEMBL3741260)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccc(cc3)C#N)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O2/c29-19-22-9-11-24(12-10-22)31-17-15-30(16-18-31)14-13-21-5-7-23(8-6-21)20-32-27(33)25-3-1-2-4-26(25)28(32)34/h1-12H,13-18,20H2
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n/an/a 89n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50499997
PNG
(CHEMBL3741161)
Show SMILES Fc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C27H25F2N3O2/c28-21-9-10-25(24(29)17-21)31-15-13-30(14-16-31)12-11-19-5-7-20(8-6-19)18-32-26(33)22-3-1-2-4-23(22)27(32)34/h1-10,17H,11-16,18H2
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n/an/a 90n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500017
PNG
(CHEMBL3739505)
Show SMILES Fc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26FN3O2/c28-24-7-3-4-8-25(24)30-17-15-29(16-18-30)14-13-20-9-11-21(12-10-20)19-31-26(32)22-5-1-2-6-23(22)27(31)33/h1-12H,13-19H2
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n/an/a 96n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500015
PNG
(CHEMBL3741318)
Show SMILES COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O3/c1-34-26-9-5-4-8-25(26)30-18-16-29(17-19-30)15-14-21-10-12-22(13-11-21)20-31-27(32)23-6-2-3-7-24(23)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 101n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500012
PNG
(CHEMBL3739900)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H29N3O2/c32-27-25-8-4-5-9-26(25)28(33)31(27)21-24-12-10-22(11-13-24)14-15-29-16-18-30(19-17-29)20-23-6-2-1-3-7-23/h1-13H,14-21H2
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n/an/a 116n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500002
PNG
(CHEMBL3740847)
Show SMILES Fc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26FN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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n/an/a 122n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500013
PNG
(CHEMBL3740558)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C29H29N3O3/c1-21(33)24-10-12-25(13-11-24)31-18-16-30(17-19-31)15-14-22-6-8-23(9-7-22)20-32-28(34)26-4-2-3-5-27(26)29(32)35/h2-13H,14-20H2,1H3
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n/an/a 122n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500016
PNG
(CHEMBL3740874)
Show SMILES Fc1cc(ccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1)C#N
Show InChI InChI=1S/C28H25FN4O2/c29-25-17-22(18-30)9-10-26(25)32-15-13-31(14-16-32)12-11-20-5-7-21(8-6-20)19-33-27(34)23-3-1-2-4-24(23)28(33)35/h1-10,17H,11-16,19H2
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n/an/a 128n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500008
PNG
(CHEMBL3741658)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H27N3O2/c31-26-24-8-4-5-9-25(24)27(32)30(26)20-22-12-10-21(11-13-22)14-15-28-16-18-29(19-17-28)23-6-2-1-3-7-23/h1-13H,14-20H2
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n/an/a 151n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500005
PNG
(CHEMBL3739542)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)24-7-3-4-8-25(24)33-17-15-32(16-18-33)14-13-20-9-11-21(12-10-20)19-34-26(35)22-5-1-2-6-23(22)27(34)36/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50499998
PNG
(CHEMBL3739762)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3[N+]#[C-])cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O2/c1-29-25-8-4-5-9-26(25)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)20-32-27(33)23-6-2-3-7-24(23)28(32)34/h2-13H,14-20H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500007
PNG
(CHEMBL3742276)
Show SMILES CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O4S/c1-36(34,35)26-9-5-4-8-25(26)30-18-16-29(17-19-30)15-14-21-10-12-22(13-11-21)20-31-27(32)23-6-2-3-7-24(23)28(31)33/h2-13H,14-20H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500009
PNG
(CHEMBL3740042)
Show SMILES Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O2/c1-21-6-2-5-9-26(21)30-18-16-29(17-19-30)15-14-22-10-12-23(13-11-22)20-31-27(32)24-7-3-4-8-25(24)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 228n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500002
PNG
(CHEMBL3740847)
Show SMILES Fc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26FN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500010
PNG
(CHEMBL3740351)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C29H31N3O3/c1-2-35-27-10-6-5-9-26(27)31-19-17-30(18-20-31)16-15-22-11-13-23(14-12-22)21-32-28(33)24-7-3-4-8-25(24)29(32)34/h3-14H,2,15-21H2,1H3
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500005
PNG
(CHEMBL3739542)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)24-7-3-4-8-25(24)33-17-15-32(16-18-33)14-13-20-9-11-21(12-10-20)19-34-26(35)22-5-1-2-6-23(22)27(34)36/h1-12H,13-19H2
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Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50499996
PNG
(CHEMBL3740019)
Show SMILES Cc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O2/c1-21-6-12-24(13-7-21)30-18-16-29(17-19-30)15-14-22-8-10-23(11-9-22)20-31-27(32)25-4-2-3-5-26(25)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 344n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500005
PNG
(CHEMBL3739542)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)24-7-3-4-8-25(24)33-17-15-32(16-18-33)14-13-20-9-11-21(12-10-20)19-34-26(35)22-5-1-2-6-23(22)27(34)36/h1-12H,13-19H2
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n/an/a 384n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500000
PNG
(CHEMBL3739513)
Show SMILES COc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O3/c1-34-24-12-10-23(11-13-24)30-18-16-29(17-19-30)15-14-21-6-8-22(9-7-21)20-31-27(32)25-4-2-3-5-26(25)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 406n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500010
PNG
(CHEMBL3740351)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C29H31N3O3/c1-2-35-27-10-6-5-9-26(27)31-19-17-30(18-20-31)16-15-22-11-13-23(14-12-22)21-32-28(33)24-7-3-4-8-25(24)29(32)34/h3-14H,2,15-21H2,1H3
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n/an/a 433n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50499997
PNG
(CHEMBL3741161)
Show SMILES Fc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C27H25F2N3O2/c28-21-9-10-25(24(29)17-21)31-15-13-30(14-16-31)12-11-19-5-7-20(8-6-19)18-32-26(33)22-3-1-2-4-23(22)27(32)34/h1-10,17H,11-16,18H2
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n/an/a 493n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500001
PNG
(CHEMBL3741483)
Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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n/an/a 552n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 555n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 634n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500002
PNG
(CHEMBL3740847)
Show SMILES Fc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26FN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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n/an/a 684n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500014
PNG
(CHEMBL3741260)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccc(cc3)C#N)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O2/c29-19-22-9-11-24(12-10-22)31-17-15-30(16-18-31)14-13-21-5-7-23(8-6-21)20-32-27(33)25-3-1-2-4-26(25)28(32)34/h1-12H,13-18,20H2
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n/an/a 769n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50499999
PNG
(CHEMBL3742198)
Show SMILES Clc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-24-7-3-4-8-25(24)30-17-15-29(16-18-30)14-13-20-9-11-21(12-10-20)19-31-26(32)22-5-1-2-6-23(22)27(31)33/h1-12H,13-19H2
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n/an/a 782n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50499997
PNG
(CHEMBL3741161)
Show SMILES Fc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C27H25F2N3O2/c28-21-9-10-25(24(29)17-21)31-15-13-30(14-16-31)12-11-19-5-7-20(8-6-19)18-32-26(33)22-3-1-2-4-23(22)27(32)34/h1-10,17H,11-16,18H2
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n/an/a 788n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500001
PNG
(CHEMBL3741483)
Show SMILES Clc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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n/an/a 794n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500013
PNG
(CHEMBL3740558)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C29H29N3O3/c1-21(33)24-10-12-25(13-11-24)31-18-16-30(17-19-31)15-14-22-6-8-23(9-7-22)20-32-28(34)26-4-2-3-5-27(26)29(32)35/h2-13H,14-20H2,1H3
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n/an/a 866n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500008
PNG
(CHEMBL3741658)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H27N3O2/c31-26-24-8-4-5-9-25(24)27(32)30(26)20-22-12-10-21(11-13-22)14-15-28-16-18-29(19-17-28)23-6-2-1-3-7-23/h1-13H,14-20H2
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n/an/a 875n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500000
PNG
(CHEMBL3739513)
Show SMILES COc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O3/c1-34-24-12-10-23(11-13-24)30-18-16-29(17-19-30)15-14-21-6-8-22(9-7-21)20-31-27(32)25-4-2-3-5-26(25)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 885n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500009
PNG
(CHEMBL3740042)
Show SMILES Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O2/c1-21-6-2-5-9-26(21)30-18-16-29(17-19-30)15-14-22-10-12-23(13-11-22)20-31-27(32)24-7-3-4-8-25(24)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 949n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500016
PNG
(CHEMBL3740874)
Show SMILES Fc1cc(ccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1)C#N
Show InChI InChI=1S/C28H25FN4O2/c29-25-17-22(18-30)9-10-26(25)32-15-13-31(14-16-32)12-11-20-5-7-21(8-6-20)19-33-27(34)23-3-1-2-4-24(23)28(33)35/h1-10,17H,11-16,19H2
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n/an/a 957n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500004
PNG
(CHEMBL3741079)
Show SMILES Brc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26BrN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500012
PNG
(CHEMBL3739900)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H29N3O2/c32-27-25-8-4-5-9-26(25)28(33)31(27)21-24-12-10-22(11-13-24)14-15-29-16-18-30(19-17-29)20-23-6-2-1-3-7-23/h1-13H,14-21H2
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n/an/a 1.01E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500012
PNG
(CHEMBL3739900)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H29N3O2/c32-27-25-8-4-5-9-26(25)28(33)31(27)21-24-12-10-22(11-13-24)14-15-29-16-18-30(19-17-29)20-23-6-2-1-3-7-23/h1-13H,14-21H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500015
PNG
(CHEMBL3741318)
Show SMILES COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O3/c1-34-26-9-5-4-8-25(26)30-18-16-29(17-19-30)15-14-21-10-12-22(13-11-21)20-31-27(32)23-6-2-3-7-24(23)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500008
PNG
(CHEMBL3741658)
Show SMILES O=C1N(Cc2ccc(CCN3CCN(CC3)c3ccccc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H27N3O2/c31-26-24-8-4-5-9-25(24)27(32)30(26)20-22-12-10-21(11-13-22)14-15-28-16-18-29(19-17-28)23-6-2-1-3-7-23/h1-13H,14-20H2
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n/an/a 1.76E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500000
PNG
(CHEMBL3739513)
Show SMILES COc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O3/c1-34-24-12-10-23(11-13-24)30-18-16-29(17-19-30)15-14-21-6-8-22(9-7-21)20-31-27(32)25-4-2-3-5-26(25)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 1.86E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50500017
PNG
(CHEMBL3739505)
Show SMILES Fc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26FN3O2/c28-24-7-3-4-8-25(24)30-17-15-29(16-18-30)14-13-20-9-11-21(12-10-20)19-31-26(32)22-5-1-2-6-23(22)27(31)33/h1-12H,13-19H2
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n/an/a 1.88E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50500004
PNG
(CHEMBL3741079)
Show SMILES Brc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26BrN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
PDB

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n/an/a 3.42E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500004
PNG
(CHEMBL3741079)
Show SMILES Brc1ccc(cc1)N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26BrN3O2/c28-22-9-11-23(12-10-22)30-17-15-29(16-18-30)14-13-20-5-7-21(8-6-20)19-31-26(32)24-3-1-2-4-25(24)27(31)33/h1-12H,13-19H2
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n/an/a 7.43E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500017
PNG
(CHEMBL3739505)
Show SMILES Fc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C27H26FN3O2/c28-24-7-3-4-8-25(24)30-17-15-29(16-18-30)14-13-20-9-11-21(12-10-20)19-31-26(32)22-5-1-2-6-23(22)27(31)33/h1-12H,13-19H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50500009
PNG
(CHEMBL3740042)
Show SMILES Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1
Show InChI InChI=1S/C28H29N3O2/c1-21-6-2-5-9-26(21)30-18-16-29(17-19-30)15-14-22-10-12-23(13-11-22)20-31-27(32)24-7-3-4-8-25(24)28(31)33/h2-13H,14-20H2,1H3
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n/an/a 8.06E+4n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay

Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%