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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'szyma?ska' and Initial = 'e'   
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))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 0.240n/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 membranes after 30 mins by scintillation counting

Bioorg Med Chem 19: 1349-60 (2011)


Article DOI: 10.1016/j.bmc.2010.11.051
BindingDB Entry DOI: 10.7270/Q2TT4TS3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520922
PNG
(CHEMBL4547780)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-17(24)18-3-5-20(6-4-18)25-16-2-11-22-12-14-23(15-13-22)19-7-9-21-10-8-19/h3-10H,2,11-16H2,1H3
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 10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
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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 10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50417067
PNG
(CHEMBL1258345)
Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C29H32N4O4/c1-37-26-15-9-8-14-25(26)32-18-16-31(17-19-32)20-24(34)21-33-28(36)30-27(35)29(33,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,34H,16-21H2,1H3,(H,30,35,36)
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 17n/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 membranes after 30 mins by scintillation counting

Bioorg Med Chem 19: 1349-60 (2011)


Article DOI: 10.1016/j.bmc.2010.11.051
BindingDB Entry DOI: 10.7270/Q2TT4TS3
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485347
PNG
(CHEMBL2046970)
Show SMILES Cl.COc1ccc(\C=C2/NC(=O)N(CC(O)CN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
Show InChI InChI=1S/C26H32N4O6.ClH/c1-34-22-7-5-4-6-21(22)29-12-10-28(11-13-29)16-19(31)17-30-25(32)20(27-26(30)33)14-18-8-9-23(35-2)24(15-18)36-3;/h4-9,14-15,19,31H,10-13,16-17H2,1-3H3,(H,27,33);1H/b20-14-;
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 45n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485355
PNG
(CHEMBL2046969)
Show SMILES Cl.COc1ccc(\C=C2/NC(=O)N(CC(O)CN3CCN(CC3)c3ccccc3OC)C2=O)c(OC)c1
Show InChI InChI=1S/C26H32N4O6.ClH/c1-34-20-9-8-18(24(15-20)36-3)14-21-25(32)30(26(33)27-21)17-19(31)16-28-10-12-29(13-11-28)22-6-4-5-7-23(22)35-2;/h4-9,14-15,19,31H,10-13,16-17H2,1-3H3,(H,27,33);1H/b21-14-;
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 52n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485360
PNG
(CHEMBL2046968)
Show SMILES Cl.CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccc(Cl)cc3)C2=O)CC1
Show InChI InChI=1S/C25H29ClN4O4.ClH/c1-2-34-23-6-4-3-5-22(23)29-13-11-28(12-14-29)16-20(31)17-30-24(32)21(27-25(30)33)15-18-7-9-19(26)10-8-18;/h3-10,15,20,31H,2,11-14,16-17H2,1H3,(H,27,33);1H/b21-15-;
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 59n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50417068
PNG
(CHEMBL1258457)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C30H34N4O4/c1-2-38-27-16-10-9-15-26(27)33-19-17-32(18-20-33)21-25(35)22-34-29(37)31-28(36)30(34,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25,35H,2,17-22H2,1H3,(H,31,36,37)
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 67n/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 membranes after 30 mins by scintillation counting

Bioorg Med Chem 19: 1349-60 (2011)


Article DOI: 10.1016/j.bmc.2010.11.051
BindingDB Entry DOI: 10.7270/Q2TT4TS3
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485348
PNG
(CHEMBL2046967)
Show SMILES Cl.COc1cccc(\C=C2/NC(=O)N(CC(O)CN3CCN(CC3)c3ccccc3OC)C2=O)c1OC
Show InChI InChI=1S/C26H32N4O6.ClH/c1-34-22-9-5-4-8-21(22)29-13-11-28(12-14-29)16-19(31)17-30-25(32)20(27-26(30)33)15-18-7-6-10-23(35-2)24(18)36-3;/h4-10,15,19,31H,11-14,16-17H2,1-3H3,(H,27,33);1H/b20-15-;
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 70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485349
PNG
(CHEMBL2046966)
Show SMILES Cl.CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3cccc(OC)c3OC)C2=O)CC1
Show InChI InChI=1S/C27H34N4O6.ClH/c1-4-37-23-10-6-5-9-22(23)30-14-12-29(13-15-30)17-20(32)18-31-26(33)21(28-27(31)34)16-19-8-7-11-24(35-2)25(19)36-3;/h5-11,16,20,32H,4,12-15,17-18H2,1-3H3,(H,28,34);1H/b21-16-;
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 72n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485356
PNG
(CHEMBL2046965)
Show SMILES Cl.COc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccc(Cl)cc3)C2=O)CC1
Show InChI InChI=1S/C24H27ClN4O4.ClH/c1-33-22-5-3-2-4-21(22)28-12-10-27(11-13-28)15-19(30)16-29-23(31)20(26-24(29)32)14-17-6-8-18(25)9-7-17;/h2-9,14,19,30H,10-13,15-16H2,1H3,(H,26,32);1H/b20-14-;
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 86n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485350
PNG
(CHEMBL2046964)
Show SMILES Cl.CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccccc3)C2=O)CC1
Show InChI InChI=1S/C25H30N4O4.ClH/c1-2-33-23-11-7-6-10-22(23)28-14-12-27(13-15-28)17-20(30)18-29-24(31)21(26-25(29)32)16-19-8-4-3-5-9-19;/h3-11,16,20,30H,2,12-15,17-18H2,1H3,(H,26,32);1H/b21-16-;
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 91n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485351
PNG
(CHEMBL2046963)
Show SMILES Cl.COc1ccc(\C=C2/NC(=O)N(CC(O)CN3CCN(CC3)c3ccccc3)C2=O)cc1OC
Show InChI InChI=1S/C25H30N4O5.ClH/c1-33-22-9-8-18(15-23(22)34-2)14-21-24(31)29(25(32)26-21)17-20(30)16-27-10-12-28(13-11-27)19-6-4-3-5-7-19;/h3-9,14-15,20,30H,10-13,16-17H2,1-2H3,(H,26,32);1H/b21-14-;
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 198n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485357
PNG
(CHEMBL2046962)
Show SMILES Cl.CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccc(OC)cc3OC)C2=O)CC1
Show InChI InChI=1S/C27H34N4O6.ClH/c1-4-37-24-8-6-5-7-23(24)30-13-11-29(12-14-30)17-20(32)18-31-26(33)22(28-27(31)34)15-19-9-10-21(35-2)16-25(19)36-3;/h5-10,15-16,20,32H,4,11-14,17-18H2,1-3H3,(H,28,34);1H/b22-15-;
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 231n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485359
PNG
(CHEMBL2046961)
Show SMILES Cl.COc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccccc3)C2=O)CC1
Show InChI InChI=1S/C24H28N4O4.ClH/c1-32-22-10-6-5-9-21(22)27-13-11-26(12-14-27)16-19(29)17-28-23(30)20(25-24(28)31)15-18-7-3-2-4-8-18;/h2-10,15,19,29H,11-14,16-17H2,1H3,(H,25,31);1H/b20-15-;
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 286n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520924
PNG
(CHEMBL4581913)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-17(24)18-6-8-19(9-7-18)25-16-4-11-22-12-14-23(15-13-22)20-5-2-3-10-21-20/h2-3,5-10H,4,11-16H2,1H3
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 315n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485354
PNG
(CHEMBL2046960)
Show SMILES Cl.COc1cccc(\C=C2/NC(=O)N(CC(O)CN3CCN(CC3)c3ccccc3)C2=O)c1OC
Show InChI InChI=1S/C25H30N4O5.ClH/c1-33-22-10-6-7-18(23(22)34-2)15-21-24(31)29(25(32)26-21)17-20(30)16-27-11-13-28(14-12-27)19-8-4-3-5-9-19;/h3-10,15,20,30H,11-14,16-17H2,1-2H3,(H,26,32);1H/b21-15-;
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 319n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405909
PNG
(CHEMBL4170784)
Show SMILES CCC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cnccn2)cc1
Show InChI InChI=1S/C23H32O3S/c24-23(25)13-7-2-1-6-12-19-20(22-15-14-21(19)26-22)17-27-16-8-11-18-9-4-3-5-10-18/h1,3-6,9-10,19-22H,2,7-8,11-17H2,(H,24,25)/b6-1-
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 683n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50417066
PNG
(CHEMBL1258344)
Show SMILES OC(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H30N4O3/c33-25(20-30-16-18-31(19-17-30)24-14-8-3-9-15-24)21-32-27(35)29-26(34)28(32,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25,33H,16-21H2,(H,29,34,35)
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 732n/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 membranes after 30 mins by scintillation counting

Bioorg Med Chem 19: 1349-60 (2011)


Article DOI: 10.1016/j.bmc.2010.11.051
BindingDB Entry DOI: 10.7270/Q2TT4TS3
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485352
PNG
(CHEMBL2046959)
Show SMILES Cl.COc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccc(cc3)N(C)C)C2=O)CC1
Show InChI InChI=1S/C26H33N5O4.ClH/c1-28(2)20-10-8-19(9-11-20)16-22-25(33)31(26(34)27-22)18-21(32)17-29-12-14-30(15-13-29)23-6-4-5-7-24(23)35-3;/h4-11,16,21,32H,12-15,17-18H2,1-3H3,(H,27,34);1H/b22-16-;
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 835n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405708
PNG
(CHEMBL4166945)
Show SMILES CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C15H19NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
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 883n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520935
PNG
(CHEMBL4473431)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2cccnc2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-18(25)19-6-8-21(9-7-19)26-16-3-2-11-23-12-14-24(15-13-23)20-5-4-10-22-17-20/h4-10,17H,2-3,11-16H2,1H3
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 908n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520933
PNG
(CHEMBL4467220)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-17(25)18-5-7-19(8-6-18)26-16-3-2-11-23-12-14-24(15-13-23)20-21-9-4-10-22-20/h4-10H,2-3,11-16H2,1H3
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 1.23E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456718
PNG
(CHEMBL4208162)
Show SMILES N[C@H](Cc1cc(c(Cl)c(c1)[N+]([O-])=O)-c1cc(O)ccc1O)C(O)=O |r|
Show InChI InChI=1S/C15H13ClN2O6/c16-14-10(9-6-8(19)1-2-13(9)20)3-7(4-11(17)15(21)22)5-12(14)18(23)24/h1-3,5-6,11,19-20H,4,17H2,(H,21,22)/t11-/m1/s1
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 1.71E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520937
PNG
(CHEMBL4445569)
Show SMILES CCC(=O)c1ccc(OCCCN2CCN(CC2)c2cnccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-2-19(25)17-4-6-18(7-5-17)26-15-3-10-23-11-13-24(14-12-23)20-16-21-8-9-22-20/h4-9,16H,2-3,10-15H2,1H3
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 1.72E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456718
PNG
(CHEMBL4208162)
Show SMILES N[C@H](Cc1cc(c(Cl)c(c1)[N+]([O-])=O)-c1cc(O)ccc1O)C(O)=O |r|
Show InChI InChI=1S/C15H13ClN2O6/c16-14-10(9-6-8(19)1-2-13(9)20)3-7(4-11(17)15(21)22)5-12(14)18(23)24/h1-3,5-6,11,19-20H,4,17H2,(H,21,22)/t11-/m1/s1
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 1.74E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(Q) receptor flop isoform by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405908
PNG
(CHEMBL4162840)
Show SMILES CCC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C18H30O3S/c1-2-3-12-22-13-15-14(16-10-11-17(15)21-16)8-6-4-5-7-9-18(19)20/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,19,20)/b6-4-
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 2.26E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520941
PNG
(CHEMBL4519189)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C19H24N4O2/c1-16(24)17-4-6-18(7-5-17)25-15-3-10-22-11-13-23(14-12-22)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3
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 2.32E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405707
PNG
(CHEMBL4163913)
Show SMILES CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C15H19NO4S/c1-10(9-21)14(17)16-8-12(7-13(16)15(18)19)20-11-5-3-2-4-6-11/h2-6,10,12-13,21H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
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 2.96E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520934
PNG
(CHEMBL4453108)
Show SMILES CCC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-2-19(25)17-5-7-18(8-6-17)26-16-4-11-23-12-14-24(15-13-23)20-21-9-3-10-22-20/h3,5-10H,2,4,11-16H2,1H3
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 3.39E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405734
PNG
(CHEMBL4170350)
Show SMILES CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cccnc2)cc1
Show InChI InChI=1S/C17H30N7O3S/c1-28(10(4-6-19)3-2-5-18)7-11-13(25)14(26)17(27-11)24-9-23-12-15(20)21-8-22-16(12)24/h8-11,13-14,17,25-26H,2-7,18-19H2,1H3,(H2,20,21,22)/q+1/t10?,11-,13?,14?,17?,28?/m1/s1
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 3.42E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50520940
PNG
(CHEMBL4452580)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-18(25)19-7-9-20(10-8-19)26-17-5-4-12-23-13-15-24(16-14-23)21-6-2-3-11-22-21/h2-3,6-11H,4-5,12-17H2,1H3
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 3.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485358
PNG
(CHEMBL2046958)
Show SMILES Cl.OC(CN1C(=O)N\C(=C/c2ccc(Cl)cc2)C1=O)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H25ClN4O3.ClH/c24-18-8-6-17(7-9-18)14-21-22(30)28(23(31)25-21)16-20(29)15-26-10-12-27(13-11-26)19-4-2-1-3-5-19;/h1-9,14,20,29H,10-13,15-16H2,(H,25,31);1H/b21-14-;
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 3.70E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405712
PNG
(CHEMBL4166262)
Show SMILES CC(C)(C)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C9H13NO4S/c1-5(4-15)8(12)10-3-6(11)2-7(10)9(13)14/h5,7,15H,2-4H2,1H3,(H,13,14)/t5-,7+/m1/s1
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 3.83E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50483374
PNG
(CHEMBL1669478)
Show SMILES Cl.COc1ccccc1N1CCN(CC(O)CN2C(=O)N(CC(O)=O)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H34N4O6.ClH/c1-41-27-15-9-8-14-26(27)33-18-16-32(17-19-33)20-25(36)21-35-30(40)34(22-28(37)38)29(39)31(35,23-10-4-2-5-11-23)24-12-6-3-7-13-24;/h2-15,25,36H,16-22H2,1H3,(H,37,38);1H
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 4.80E+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 membranes after 30 mins by scintillation counting

Bioorg Med Chem 19: 1349-60 (2011)


Article DOI: 10.1016/j.bmc.2010.11.051
BindingDB Entry DOI: 10.7270/Q2TT4TS3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405702
PNG
(CHEMBL4159046)
Show SMILES CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cnccn2)cc1
Show InChI InChI=1S/C15H18FNO3S2/c1-9(8-21)14(18)17-7-12(6-13(17)15(19)20)22-11-4-2-10(16)3-5-11/h2-5,9,12-13,21H,6-8H2,1H3,(H,19,20)/t9-,12+,13+/m1/s1
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 5.48E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)		BDBM50456718
PNG
(CHEMBL4208162)
Show SMILES N[C@H](Cc1cc(c(Cl)c(c1)[N+]([O-])=O)-c1cc(O)ccc1O)C(O)=O |r|
Show InChI InChI=1S/C15H13ClN2O6/c16-14-10(9-6-8(19)1-2-13(9)20)3-7(4-11(17)15(21)22)5-12(14)18(23)24/h1-3,5-6,11,19-20H,4,17H2,(H,21,22)/t11-/m1/s1
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 7.01E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50485353
PNG
(CHEMBL2046971)
Show SMILES Cl.CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N\C(=C/c3ccc(cc3)N(C)C)C2=O)CC1
Show InChI InChI=1S/C27H35N5O4.ClH/c1-4-36-25-8-6-5-7-24(25)31-15-13-30(14-16-31)18-22(33)19-32-26(34)23(28-27(32)35)17-20-9-11-21(12-10-20)29(2)3;/h5-12,17,22,33H,4,13-16,18-19H2,1-3H3,(H,28,35);1H/b23-17-;
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 8.70E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 20: 4245-57 (2012)


Article DOI: 10.1016/j.bmc.2012.05.064
BindingDB Entry DOI: 10.7270/Q2862K90
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50405703
PNG
(CHEMBL4171151)
Show SMILES CCC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cccnc2)cc1
Show InChI InChI=1S/C19H26N2O5S/c1-12(17(22)21-11-14(27-2)10-16(21)19(25)26)20-15(18(23)24)9-8-13-6-4-3-5-7-13/h3-7,12,14-16,20H,8-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,14+,15-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456716
PNG
(CHEMBL4207628)
Show SMILES N[C@@H](Cc1cc(c(Cl)c(c1)[N+]([O-])=O)-c1cc(O)ccc1O)C(O)=O |r|
Show InChI InChI=1S/C15H13ClN2O6/c16-14-10(9-6-8(19)1-2-13(9)20)3-7(4-11(17)15(21)22)5-12(14)18(23)24/h1-3,5-6,11,19-20H,4,17H2,(H,21,22)/t11-/m0/s1
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 1.84E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456717
PNG
(CHEMBL4212533)
Show SMILES N[C@H](Cc1cc(Cl)cc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-12-5-9(6-14(17)15(19)20)4-11(7-12)10-2-1-3-13(18)8-10/h1-5,7-8,14,18H,6,17H2,(H,19,20)/t14-/m1/s1
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 2.07E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456719
PNG
(CHEMBL4216018)
Show SMILES N[C@H](Cc1ccc(Cl)c(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-13-5-4-9(7-14(17)15(19)20)6-12(13)10-2-1-3-11(18)8-10/h1-6,8,14,18H,7,17H2,(H,19,20)/t14-/m1/s1
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 2.19E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456720
PNG
(CHEMBL4211059)
Show SMILES N[C@@H](Cc1cc(Cl)cc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-12-5-9(6-14(17)15(19)20)4-11(7-12)10-2-1-3-13(18)8-10/h1-5,7-8,14,18H,6,17H2,(H,19,20)/t14-/m0/s1
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 4.08E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)		BDBM50456716
PNG
(CHEMBL4207628)
Show SMILES N[C@@H](Cc1cc(c(Cl)c(c1)[N+]([O-])=O)-c1cc(O)ccc1O)C(O)=O |r|
Show InChI InChI=1S/C15H13ClN2O6/c16-14-10(9-6-8(19)1-2-13(9)20)3-7(4-11(17)15(21)22)5-12(14)18(23)24/h1-3,5-6,11,19-20H,4,17H2,(H,21,22)/t11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)		BDBM50456719
PNG
(CHEMBL4216018)
Show SMILES N[C@H](Cc1ccc(Cl)c(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-13-5-4-9(7-14(17)15(19)20)6-12(13)10-2-1-3-11(18)8-10/h1-6,8,14,18H,7,17H2,(H,19,20)/t14-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)		BDBM50456721
PNG
(CHEMBL4215471)
Show SMILES N[C@@H](Cc1ccc(Cl)c(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-13-5-4-9(7-14(17)15(19)20)6-12(13)10-2-1-3-11(18)8-10/h1-6,8,14,18H,7,17H2,(H,19,20)/t14-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)		BDBM50456720
PNG
(CHEMBL4211059)
Show SMILES N[C@@H](Cc1cc(Cl)cc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-12-5-9(6-14(17)15(19)20)4-11(7-12)10-2-1-3-13(18)8-10/h1-5,7-8,14,18H,6,17H2,(H,19,20)/t14-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)		BDBM50456721
PNG
(CHEMBL4215471)
Show SMILES N[C@@H](Cc1ccc(Cl)c(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-13-5-4-9(7-14(17)15(19)20)6-12(13)10-2-1-3-11(18)8-10/h1-6,8,14,18H,7,17H2,(H,19,20)/t14-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)		BDBM50456717
PNG
(CHEMBL4212533)
Show SMILES N[C@H](Cc1cc(Cl)cc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H14ClNO3/c16-12-5-9(6-14(17)15(19)20)4-11(7-12)10-2-1-3-13(18)8-10/h1-5,7-8,14,18H,6,17H2,(H,19,20)/t14-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method

Eur J Med Chem 138: 874-883 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.007
BindingDB Entry DOI: 10.7270/Q2862K1D
More data for this
Ligand-Target Pair