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Compile Data Set for Download or QSAR

Found 1256 hits with Last Name = 'salerno' and Initial = 'l'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
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 0.00250n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme

Citation and Details
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50528960
PNG
(CHEMBL4450250)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C36H42N6O5/c1-20-15-26(43)16-21(2)28(20)18-29(37)36(47)42(5)23(4)34(45)40-31(17-25-19-39-30-14-10-9-13-27(25)30)35(46)41-32(22(3)33(38)44)24-11-7-6-8-12-24/h6-16,19,23,29,31-32,39,43H,3,17-18,37H2,1-2,4-5H3,(H2,38,44)(H,40,45)(H,41,46)/t23-,29?,31+,32?/m1/s1
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 0.0109n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50528965
PNG
(CHEMBL4550234)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N5O6/c1-18-14-23(38)15-19(2)24(18)17-25(33)32(42)37(5)21(4)30(40)35-26(16-22-10-7-6-8-11-22)31(41)36-28(20(3)29(34)39)27-12-9-13-43-27/h6-15,21,25-26,28,38H,3,16-17,33H2,1-2,4-5H3,(H2,34,39)(H,35,40)(H,36,41)/t21-,25?,26+,28?/m1/s1
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 0.0109n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50528966
PNG
(CHEMBL4521879)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C34H41N5O5/c1-20-16-26(40)17-21(2)27(20)19-28(35)34(44)39(5)23(4)32(42)37-29(18-24-12-8-6-9-13-24)33(43)38-30(22(3)31(36)41)25-14-10-7-11-15-25/h6-17,23,28-30,40H,3,18-19,35H2,1-2,4-5H3,(H2,36,41)(H,37,42)(H,38,43)/t23-,28?,29+,30?/m1/s1
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 0.0109n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50528967
PNG
(CHEMBL4439415)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C34H40N6O6/c1-18-13-23(41)14-19(2)25(18)16-26(35)34(45)40(5)21(4)32(43)38-28(15-22-17-37-27-10-7-6-9-24(22)27)33(44)39-30(20(3)31(36)42)29-11-8-12-46-29/h6-14,17,21,26,28,30,37,41H,3,15-16,35H2,1-2,4-5H3,(H2,36,42)(H,38,43)(H,39,44)/t21-,26?,28+,30?/m1/s1
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 0.0109n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50023189
PNG
(CHEMBL3297829)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-39(24-25-9-4-3-5-10-25)32(44)14-8-13-31(43)37-26-15-16-30-27(23-26)33-34(48-30)35(45)42(36(46)38-33)22-19-40-17-20-41(21-18-40)28-11-6-7-12-29(28)47-2/h3-7,9-12,15-16,23H,8,13-14,17-22,24H2,1-2H3,(H,37,43)(H,38,46)
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 0.0562n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells

Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50251208
PNG
(CHEMBL4088272)
Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3
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PDB
 0.0800n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50262788
PNG
(2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-26-21-11-5-3-9-19(21)25-15-13-24(14-16-25)12-6-7-17-28-22-23-18-8-2-4-10-20(18)27-22/h2-5,8-11H,6-7,12-17H2,1H3
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 0.0940n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus

J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50143697
PNG
(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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 0.129n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells

Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50023188
PNG
(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
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 0.141n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells

Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50305263
PNG
(2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...)
Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1
Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
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 0.153n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid from 5-HT7 receptor (unknown origin)

J Med Chem 61: 8475-8503 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01898
BindingDB Entry DOI: 10.7270/Q2V98BPM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50476083
PNG
(CHEMBL220515)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H26ClN5O2/c1-16-26-22-18-5-3-4-6-19(18)27-23(22)24(31)30(16)14-11-28-9-12-29(13-10-28)20-15-17(25)7-8-21(20)32-2/h3-8,15,27H,9-14H2,1-2H3
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 0.166n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells

Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50058306
PNG
(CHEMBL3331390)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3oc2=O)CC1
Show InChI InChI=1S/C25H33N3O3/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
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 0.190n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry

Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50058305
PNG
(CHEMBL3331391)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C25H33N3O2S/c1-30-23-13-7-5-11-21(23)27-19-17-26(18-20-27)15-9-3-2-4-10-16-28-22-12-6-8-14-24(22)31-25(28)29/h5-8,11-14H,2-4,9-10,15-20H2,1H3
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 0.210n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry

Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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 0.220n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5-HT7 receptor expressed in HEK293 cell membranes incubated for 60 mins by radioligand binding assay

J Med Chem 61: 8475-8503 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01898
BindingDB Entry DOI: 10.7270/Q2V98BPM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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 0.220n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry

Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50405519
PNG
(CHEMBL5278314)
Show SMILES CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO4S/c1-17(2)22-14-20(23)15-26-21-10-8-18(9-11-21)12-13-27(24,25)16-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
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 0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human kidney thiopurine methyltransferase (TPMT)

Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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 0.269n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells

Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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 0.269n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor

Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50262744
PNG
(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3n2C)CC1
Show InChI InChI=1S/C22H28N4OS/c1-24-19-9-4-3-8-18(19)23-22(24)28-17-7-12-25-13-15-26(16-14-25)20-10-5-6-11-21(20)27-2/h3-6,8-11H,7,12-17H2,1-2H3
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 0.270n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus

J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50262787
PNG
(2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H27N3OS2/c1-26-20-10-4-3-9-19(20)25-15-13-24(14-16-25)12-6-7-17-27-22-23-18-8-2-5-11-21(18)28-22/h2-5,8-11H,6-7,12-17H2,1H3
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 0.270n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus

J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50058307
PNG
(CHEMBL3331389)
Show SMILES O=c1sc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3OS/c28-24-27(22-13-7-8-14-23(22)29-24)16-10-3-1-2-9-15-25-17-19-26(20-18-25)21-11-5-4-6-12-21/h4-8,11-14H,1-3,9-10,15-20H2
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 0.270n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry

Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 0.270n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting

ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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 0.288n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expressed in HEK293 cells

Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50263290
PNG
(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H25N3OS2/c1-25-19-9-4-3-8-18(19)24-14-12-23(13-15-24)11-6-16-26-21-22-17-7-2-5-10-20(17)27-21/h2-5,7-10H,6,11-16H2,1H3
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 0.290n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus

J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50023188
PNG
(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
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 0.324n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cells

Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50532897
PNG
(CHEMBL4572955)
Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
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 0.340n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry

Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50532897
PNG
(CHEMBL4572955)
Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
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 0.340n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry

Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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 0.363n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells

Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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 0.363n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic Alpha-1D receptor

Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
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 0.363n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells

Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50023187
PNG
(CHEMBL3298749)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C34H36N6O5S/c1-45-27-10-6-5-9-26(27)39-18-15-38(16-19-39)17-20-40-33(43)32-31(37-34(40)44)25-21-24(11-12-28(25)46-32)36-30(42)14-13-29(41)35-22-23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H,35,41)(H,36,42)(H,37,44)
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 0.372n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells

Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vivo inhibitory activity against Angiotensin I converting enzyme was evaluated in renal hypertensive rats

Citation and Details
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
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 0.398n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells

Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50023200
PNG
(CHEMBL220221)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
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 0.398n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells

Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50476084
PNG
(CHEMBL99142)
Show SMILES COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc3c2O)CC1
Show InChI InChI=1S/C24H27N5O2/c1-17-25-22-18-7-3-4-8-19(18)26-23(22)24(30)29(17)16-13-27-11-14-28(15-12-27)20-9-5-6-10-21(20)31-2/h3-10,30H,11-16H2,1-2H3
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 0.407n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells

Bioorg Med Chem Lett 16: 6200-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.034
BindingDB Entry DOI: 10.7270/Q2GT5QZC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50058310
PNG
(CHEMBL3331387)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-29-22-12-6-4-10-20(22)26-18-16-25(17-19-26)14-8-2-3-9-15-27-21-11-5-7-13-23(21)30-24(27)28/h4-7,10-13H,2-3,8-9,14-19H2,1H3
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 0.430n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry

Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50458532
PNG
(CHEMBL4216782)
Show SMILES CN(C)CCc1cc(ccc1O)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C16H23N3O/c1-11-16(12(2)19(5)17-11)14-6-7-15(20)13(10-14)8-9-18(3)4/h6-7,10,20H,8-9H2,1-5H3
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 0.470n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor (unknown origin)

J Med Chem 61: 8475-8503 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01898
BindingDB Entry DOI: 10.7270/Q2V98BPM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50418765
PNG
(CHEMBL1796046)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-27(22-10-4-3-5-11-22)20-25(31)30(26(32)21-27)15-9-8-14-28-16-18-29(19-17-28)23-12-6-7-13-24(23)33-2/h3-7,10-13H,8-9,14-21H2,1-2H3
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 0.501n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned adrenergic Alpha-1D receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]...

Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50262790
PNG
(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
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 0.520n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus

J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50262578
PNG
(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-25-20-10-5-3-8-18(20)24-14-12-23(13-15-24)11-6-16-27-21-22-17-7-2-4-9-19(17)26-21/h2-5,7-10H,6,11-16H2,1H3
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 0.550n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus

J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50023183
PNG
(CHEMBL3298745)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C30H29N5O4S/c1-39-24-10-6-5-9-23(24)34-16-13-33(14-17-34)15-18-35-29(37)27-26(32-30(35)38)22-19-21(11-12-25(22)40-27)31-28(36)20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3,(H,31,36)(H,32,38)
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 0.575n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells

Eur J Med Chem 83: 419-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50139355
PNG
(2-(6-Phenylpyridin-2-ylthio)-N,N-dimethylethan-ami...)
Show SMILES CN(C)CCSc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
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 0.600n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor (unknown origin) assessed as inhibitory constant

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111690
BindingDB Entry DOI: 10.7270/Q2T72MQ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry

Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50004891
PNG
(CHEMBL2164327)
Show SMILES CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C |r,wD:3.2,(25.25,-11.88,;25.26,-10.34,;26.59,-9.58,;23.93,-9.57,;23.93,-8.02,;22.58,-7.23,;21.24,-8.01,;21.24,-9.57,;22.58,-10.34,;19.91,-10.33,;18.58,-9.56,;18.58,-8.02,;19.91,-7.25,;19.9,-5.71,;21.14,-4.8,;22.6,-5.28,;20.66,-3.34,;19.12,-3.35,;18.21,-2.1,;18.65,-4.81,;17.18,-5.29,)|
Show InChI InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
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 0.600n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT7 receptor (unknown origin)

J Med Chem 61: 8475-8503 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01898
BindingDB Entry DOI: 10.7270/Q2V98BPM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50405520
PNG
(CHEMBL1822601)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO3/c1-17(2)22-14-20(23)16-25-21-10-8-18(9-11-21)12-13-24-15-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
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 0.630n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human kidney thiopurine methyltransferase (TPMT)

Citation and Details
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.680n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against porcine plasma Angiotensin I converting enzyme

Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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 0.710n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from recombinant human 5-HT7A receptor expressed in CHOK1 cell membranes after 40 mins by liquid scintillation counting met...

Bioorg Med Chem 25: 1250-1259 (2017)


Article DOI: 10.1016/j.bmc.2016.12.039
BindingDB Entry DOI: 10.7270/Q25T3NH5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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 0.710n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT7 receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 25: 1427-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.042
BindingDB Entry DOI: 10.7270/Q23R0VJN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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 0.710n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-HT7 receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry

Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair
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