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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'szkaradek' and Initial = 'n'   
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))		BDBM50489337
PNG
(CHEMBL2311754)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1
Show InChI InChI=1S/C27H28N2O4/c1-31-24-12-5-3-10-22(24)29-17-15-28(16-18-29)14-7-19-32-25-13-6-9-21-26(30)20-8-2-4-11-23(20)33-27(21)25/h2-6,8-13H,7,14-19H2,1H3
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 4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		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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 4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50255223
PNG
(4-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)
Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO6/c1-20(11-22,12-23)21-9-13(24)10-26-17-8-4-6-15-18(25)14-5-2-3-7-16(14)27-19(15)17/h2-8,13,21-24H,9-12H2,1H3
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 4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272484
PNG
(CHEMBL4129458)
Show SMILES Cl.CC(C)(C)NCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO4.ClH/c1-20(2,3)21-11-13(22)12-24-17-10-6-8-15-18(23)14-7-4-5-9-16(14)25-19(15)17;/h4-10,13,21-22H,11-12H2,1-3H3;1H
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 5.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50255803
PNG
(5-(3N-(2-Amino-2-methyl-1-hydroxypropyl)-2-hydroxy...)
Show SMILES CC(C)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
Show InChI InChI=1S/C20H22ClNO5/c1-20(2,11-23)22-9-13(24)10-26-16-5-3-4-15-18(25)14-7-6-12(21)8-17(14)27-19(15)16/h3-8,13,22-24H,9-11H2,1-2H3
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 11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272483
PNG
(CHEMBL4128794)
Show SMILES Cl.COc1ccccc1CNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C24H23NO5.ClH/c1-28-20-10-4-2-7-16(20)13-25-14-17(26)15-29-22-12-6-9-19-23(27)18-8-3-5-11-21(18)30-24(19)22;/h2-12,17,25-26H,13-15H2,1H3;1H
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 11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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 12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		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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 18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489334
PNG
(CHEMBL2311758)
Show SMILES Cl.COc1ccccc1N1CCN(CC(O)COc2cccc3c2oc2ccccc2c3=O)CC1
Show InChI InChI=1S/C27H28N2O5.ClH/c1-32-24-11-5-3-9-22(24)29-15-13-28(14-16-29)17-19(30)18-33-25-12-6-8-21-26(31)20-7-2-4-10-23(20)34-27(21)25;/h2-12,19,30H,13-18H2,1H3;1H
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 18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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 18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50492426
PNG
(CHEMBL2401931)
Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O
Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3
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 24n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50255804
PNG
(5-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)
Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
Show InChI InChI=1S/C20H22ClNO6/c1-20(10-23,11-24)22-8-13(25)9-27-16-4-2-3-15-18(26)14-6-5-12(21)7-17(14)28-19(15)16/h2-7,13,22-25H,8-11H2,1H3
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 47n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489330
PNG
(CHEMBL2311753)
Show SMILES Cl.COc1ccccc1N1CCN(CC(COc2cccc3c2oc2ccccc2c3=O)OC(C)=O)CC1
Show InChI InChI=1S/C29H30N2O6.ClH/c1-20(32)36-21(18-30-14-16-31(17-15-30)24-10-4-6-12-26(24)34-2)19-35-27-13-7-9-23-28(33)22-8-3-5-11-25(22)37-29(23)27;/h3-13,21H,14-19H2,1-2H3;1H
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 50n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489329
PNG
(CHEMBL2311756)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C27H27ClN2O4/c1-32-23-8-3-2-7-22(23)30-15-13-29(14-16-30)12-5-17-33-24-9-4-6-21-26(31)20-11-10-19(28)18-25(20)34-27(21)24/h2-4,6-11,18H,5,12-17H2,1H3
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 82n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50255222
PNG
(4-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-o...)
Show SMILES OC(CNCC=C)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C19H19NO4/c1-2-10-20-11-13(21)12-23-17-9-5-7-15-18(22)14-6-3-4-8-16(14)24-19(15)17/h2-9,13,20-21H,1,10-12H2
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 84n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50492425
PNG
(CHEMBL2401935)
Show SMILES Cl.COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1
Show InChI InChI=1S/C25H24N2O3/c1-29-24-9-5-3-7-21(24)27-14-12-26(13-15-27)17-18-10-11-23-20(16-18)25(28)19-6-2-4-8-22(19)30-23/h2-11,16H,12-15,17H2,1H3
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 117n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		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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 143n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492426
PNG
(CHEMBL2401931)
Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O
Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3
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 170n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50492426
PNG
(CHEMBL2401931)
Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O
Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3
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 195n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272473
PNG
(CHEMBL4126588)
Show SMILES Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H25N3O4.ClH/c29-18(16-27-12-14-28(15-13-27)23-10-3-4-11-26-23)17-31-22-9-5-7-20-24(30)19-6-1-2-8-21(19)32-25(20)22;/h1-11,18,29H,12-17H2;1H
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 213n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50272481
PNG
(CHEMBL4128940)
Show SMILES Cl.COc1ccc(CCNCC(O)COc2cccc3c2oc2ccccc2c3=O)cc1OC
Show InChI InChI=1S/C26H27NO6.ClH/c1-30-22-11-10-17(14-24(22)31-2)12-13-27-15-18(28)16-32-23-9-5-7-20-25(29)19-6-3-4-8-21(19)33-26(20)23;/h3-11,14,18,27-28H,12-13,15-16H2,1-2H3;1H
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 274n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-prazosin from adrenergic alpha1 receptor in Wistar rat cortex incubated for 30 mins by microbeta liquid scintillation counting ...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492427
PNG
(CHEMBL3217036)
Show SMILES Cl.Cl.COc1ccc2c(c1)oc1ccc(CN3CCN(Cc4ccccc4)CC3)cc1c2=O
Show InChI InChI=1S/C26H26N2O3/c1-30-21-8-9-22-25(16-21)31-24-10-7-20(15-23(24)26(22)29)18-28-13-11-27(12-14-28)17-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17-18H2,1H3
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 310n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272481
PNG
(CHEMBL4128940)
Show SMILES Cl.COc1ccc(CCNCC(O)COc2cccc3c2oc2ccccc2c3=O)cc1OC
Show InChI InChI=1S/C26H27NO6.ClH/c1-30-22-11-10-17(14-24(22)31-2)12-13-27-15-18(28)16-32-23-9-5-7-20-25(29)19-6-3-4-8-21(19)33-26(20)23;/h3-11,14,18,27-28H,12-13,15-16H2,1-2H3;1H
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 357n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272482
PNG
(CHEMBL4130151)
Show SMILES Cl.COc1ccccc1CCNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C25H25NO5.ClH/c1-29-21-10-4-2-7-17(21)13-14-26-15-18(27)16-30-23-12-6-9-20-24(28)19-8-3-5-11-22(19)31-25(20)23;/h2-12,18,26-27H,13-16H2,1H3;1H
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 359n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492428
PNG
(CHEMBL2401934)
Show SMILES Cl.COc1ccc2c(c1)oc1ccc(CN3CCN(CC3)c3ccccc3OC)cc1c2=O
Show InChI InChI=1S/C26H26N2O4/c1-30-19-8-9-20-25(16-19)32-23-10-7-18(15-21(23)26(20)29)17-27-11-13-28(14-12-27)22-5-3-4-6-24(22)31-2/h3-10,15-16H,11-14,17H2,1-2H3
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 380n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50492425
PNG
(CHEMBL2401935)
Show SMILES Cl.COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1
Show InChI InChI=1S/C25H24N2O3/c1-29-24-9-5-3-7-21(24)27-14-12-26(13-15-27)17-18-10-11-23-20(16-18)25(28)19-6-2-4-8-22(19)30-23/h2-11,16H,12-15,17H2,1H3
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 426n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50492428
PNG
(CHEMBL2401934)
Show SMILES Cl.COc1ccc2c(c1)oc1ccc(CN3CCN(CC3)c3ccccc3OC)cc1c2=O
Show InChI InChI=1S/C26H26N2O4/c1-30-19-8-9-20-25(16-19)32-23-10-7-18(15-21(23)26(20)29)17-27-11-13-28(14-12-27)22-5-3-4-6-24(22)31-2/h3-10,15-16H,11-14,17H2,1-2H3
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 429n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489331
PNG
(CHEMBL3215906)
Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(CCOc2ccccc2)CC1
Show InChI InChI=1S/C28H29ClN2O5.3ClH/c29-20-9-10-23-26(17-20)36-28-24(27(23)33)7-4-8-25(28)35-19-21(32)18-31-13-11-30(12-14-31)15-16-34-22-5-2-1-3-6-22;;;/h1-10,17,21,32H,11-16,18-19H2;3*1H
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 450n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492423
PNG
(CHEMBL3215930)
Show SMILES Cl.Cl.COc1ccc2c(c1)oc1ccc(CN3CCN(C)CC3)cc1c2=O
Show InChI InChI=1S/C20H22N2O3/c1-21-7-9-22(10-8-21)13-14-3-6-18-17(11-14)20(23)16-5-4-15(24-2)12-19(16)25-18/h3-6,11-12H,7-10,13H2,1-2H3
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 490n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489331
PNG
(CHEMBL3215906)
Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(CCOc2ccccc2)CC1
Show InChI InChI=1S/C28H29ClN2O5.3ClH/c29-20-9-10-23-26(17-20)36-28-24(27(23)33)7-4-8-25(28)35-19-21(32)18-31-13-11-30(12-14-31)15-16-34-22-5-2-1-3-6-22;;;/h1-10,17,21,32H,11-16,18-19H2;3*1H
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 506n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489335
PNG
(CHEMBL3216577)
Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCNCC1Cc1ccccc1
Show InChI InChI=1S/C27H27ClN2O4.3ClH/c28-19-9-10-22-25(14-19)34-27-23(26(22)32)7-4-8-24(27)33-17-21(31)16-30-12-11-29-15-20(30)13-18-5-2-1-3-6-18;;;/h1-10,14,20-21,29,31H,11-13,15-17H2;3*1H
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 614n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489332
PNG
(CHEMBL3217231)
Show SMILES Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H30N2O4.2ClH/c32-23(20-31-18-16-30(17-19-31)15-7-10-22-8-2-1-3-9-22)21-34-27-14-6-12-25-28(33)24-11-4-5-13-26(24)35-29(25)27;;/h1-14,23,32H,15-21H2;2*1H/b10-7+;;
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 634n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492429
PNG
(CHEMBL3215698)
Show SMILES Cl.Cl.Cl.CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C19H19ClN2O2/c1-21-7-9-22(10-8-21)12-13-3-2-4-16-18(23)15-6-5-14(20)11-17(15)24-19(13)16/h2-6,11H,7-10,12H2,1H3
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 650n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489332
PNG
(CHEMBL3217231)
Show SMILES Cl.Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H30N2O4.2ClH/c32-23(20-31-18-16-30(17-19-31)15-7-10-22-8-2-1-3-9-22)21-34-27-14-6-12-25-28(33)24-11-4-5-13-26(24)35-29(25)27;;/h1-14,23,32H,15-21H2;2*1H/b10-7+;;
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 677n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489337
PNG
(CHEMBL2311754)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1
Show InChI InChI=1S/C27H28N2O4/c1-31-24-12-5-3-10-22(24)29-17-15-28(16-18-29)14-7-19-32-25-13-6-9-21-26(30)20-8-2-4-11-23(20)33-27(21)25/h2-6,8-13H,7,14-19H2,1H3
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 695n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50272484
PNG
(CHEMBL4129458)
Show SMILES Cl.CC(C)(C)NCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO4.ClH/c1-20(2,3)21-11-13(22)12-24-17-10-6-8-15-18(23)14-7-4-5-9-16(14)25-19(15)17;/h4-10,13,21-22H,11-12H2,1-3H3;1H
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 814n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-prazosin from adrenergic alpha1 receptor in Wistar rat cortex incubated for 30 mins by microbeta liquid scintillation counting ...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272471
PNG
(CHEMBL4127540)
Show SMILES Cl.COc1ccccc1OCCNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C25H25NO6.ClH/c1-29-21-10-4-5-11-22(21)30-14-13-26-15-17(27)16-31-23-12-6-8-19-24(28)18-7-2-3-9-20(18)32-25(19)23;/h2-12,17,26-27H,13-16H2,1H3;1H
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 852n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50272471
PNG
(CHEMBL4127540)
Show SMILES Cl.COc1ccccc1OCCNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C25H25NO6.ClH/c1-29-21-10-4-5-11-22(21)30-14-13-26-15-17(27)16-31-23-12-6-8-19-24(28)18-7-2-3-9-20(18)32-25(19)23;/h2-12,17,26-27H,13-16H2,1H3;1H
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 876n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-prazosin from adrenergic alpha1 receptor in Wistar rat cortex incubated for 30 mins by microbeta liquid scintillation counting ...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489336
PNG
(CHEMBL3216576)
Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H29ClN2O4.3ClH/c30-22-11-12-24-27(18-22)36-29-25(28(24)34)9-4-10-26(29)35-20-23(33)19-32-16-14-31(15-17-32)13-5-8-21-6-2-1-3-7-21;;;/h1-12,18,23,33H,13-17,19-20H2;3*1H/b8-5+;;;
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 1.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50489333
PNG
(CHEMBL2311755)
Show SMILES Cl.COc1ccc(cc1)N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1
Show InChI InChI=1S/C27H28N2O4/c1-31-21-12-10-20(11-13-21)29-17-15-28(16-18-29)14-5-19-32-25-9-4-7-23-26(30)22-6-2-3-8-24(22)33-27(23)25/h2-4,6-13H,5,14-19H2,1H3
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 1.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50492428
PNG
(CHEMBL2401934)
Show SMILES Cl.COc1ccc2c(c1)oc1ccc(CN3CCN(CC3)c3ccccc3OC)cc1c2=O
Show InChI InChI=1S/C26H26N2O4/c1-30-19-8-9-20-25(16-19)32-23-10-7-18(15-21(23)26(20)29)17-27-11-13-28(14-12-27)22-5-3-4-6-24(22)31-2/h3-10,15-16H,11-14,17H2,1-2H3
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 1.15E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50272487
PNG
(CHEMBL4126157)
Show SMILES Cl.OC(COc1ccc2c(c1)oc1ccccc1c2=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H25N3O4.ClH/c29-18(16-27-11-13-28(14-12-27)24-7-3-4-10-26-24)17-31-19-8-9-21-23(15-19)32-22-6-2-1-5-20(22)25(21)30;/h1-10,15,18,29H,11-14,16-17H2;1H
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 1.57E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...

Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50492427
PNG
(CHEMBL3217036)
Show SMILES Cl.Cl.COc1ccc2c(c1)oc1ccc(CN3CCN(Cc4ccccc4)CC3)cc1c2=O
Show InChI InChI=1S/C26H26N2O3/c1-30-21-8-9-22-25(16-21)31-24-10-7-20(15-23(24)26(22)29)18-28-13-11-27(12-14-28)17-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17-18H2,1H3
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 1.67E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489330
PNG
(CHEMBL2311753)
Show SMILES Cl.COc1ccccc1N1CCN(CC(COc2cccc3c2oc2ccccc2c3=O)OC(C)=O)CC1
Show InChI InChI=1S/C29H30N2O6.ClH/c1-20(32)36-21(18-30-14-16-31(17-15-30)24-10-4-6-12-26(24)34-2)19-35-27-13-7-9-23-28(33)22-8-3-5-11-25(22)37-29(23)27;/h3-13,21H,14-19H2,1-2H3;1H
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 2.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50255802
PNG
(4-(3N-(2-Amino-2-methyl-1-hydroxypropyl)propoxy)-9...)
Show SMILES CC(C)(CO)NCCCOc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO4/c1-20(2,13-22)21-11-6-12-24-17-10-5-8-15-18(23)14-7-3-4-9-16(14)25-19(15)17/h3-5,7-10,21-22H,6,11-13H2,1-2H3
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 2.60E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489336
PNG
(CHEMBL3216576)
Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C29H29ClN2O4.3ClH/c30-22-11-12-24-27(18-22)36-29-25(28(24)34)9-4-10-26(29)35-20-23(33)19-32-16-14-31(15-17-32)13-5-8-21-6-2-1-3-7-21;;;/h1-12,18,23,33H,13-17,19-20H2;3*1H/b8-5+;;;
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 3.40E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492425
PNG
(CHEMBL2401935)
Show SMILES Cl.COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1
Show InChI InChI=1S/C25H24N2O3/c1-29-24-9-5-3-7-21(24)27-14-12-26(13-15-27)17-18-10-11-23-20(16-18)25(28)19-6-2-4-8-22(19)30-23/h2-11,16H,12-15,17H2,1H3
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 3.66E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50492424
PNG
(CHEMBL3216145)
Show SMILES Cl.Cl.Cl.OCCN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C20H21ClN2O3/c21-15-4-5-16-18(12-15)26-20-14(2-1-3-17(20)19(16)25)13-23-8-6-22(7-9-23)10-11-24/h1-5,12,24H,6-11,13H2
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 3.93E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50489334
PNG
(CHEMBL2311758)
Show SMILES Cl.COc1ccccc1N1CCN(CC(O)COc2cccc3c2oc2ccccc2c3=O)CC1
Show InChI InChI=1S/C27H28N2O5.ClH/c1-32-24-11-5-3-9-22(24)29-15-13-28(14-16-29)17-19(30)18-33-25-12-6-8-21-26(31)20-7-2-4-10-23(20)34-27(21)25;/h2-12,19,30H,13-18H2,1H3;1H
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 4.26E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting

Bioorg Med Chem 21: 514-22 (2013)


Article DOI: 10.1016/j.bmc.2012.11.014
BindingDB Entry DOI: 10.7270/Q2P27200
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50492424
PNG
(CHEMBL3216145)
Show SMILES Cl.Cl.Cl.OCCN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Show InChI InChI=1S/C20H21ClN2O3/c21-15-4-5-16-18(12-15)26-20-14(2-1-3-17(20)19(16)25)13-23-8-6-22(7-9-23)10-11-24/h1-5,12,24H,6-11,13H2
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 4.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr

Bioorg Med Chem Lett 23: 4419-23 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.062
BindingDB Entry DOI: 10.7270/Q2SX6H5S
More data for this
Ligand-Target Pair
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