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Compile Data Set for Download or QSAR

Found 338 hits with Last Name = 'rochais' and Initial = 'c'   
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
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



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
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



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
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



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50055575
PNG
(CHEMBL3321794)
Show SMILES O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H26N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-6,9-12H,7-8,13-18H2/b2-1+
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 0.700n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
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 0.790n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM50079375
PNG
(CHEMBL3417008 | US9663465, 20)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O3/c1-26-20-12-19(23)18(22)11-17(20)21(25)27-14-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13-14,23H2,1H3
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 0.900n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079375
PNG
(CHEMBL3417008 | US9663465, 20)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O3/c1-26-20-12-19(23)18(22)11-17(20)21(25)27-14-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13-14,23H2,1H3
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 0.950n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50510971
PNG
(CHEMBL4442472)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-4-3-8-6-13-10-2-1-7(11(14)15)5-9(8)10/h1-2,5-6,13H,3-4,12H2,(H,14,15)
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 1n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African green monkey COS7 cells

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
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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 1.30n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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 1.5n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HeLa cells after 60 mins by scintillation spectrometry

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 1.60n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method

Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM21358
PNG
(2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
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 2n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50150417
PNG
(CHEMBL182322 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES CC(Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)
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 2n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50510970
PNG
(CHEMBL4521657)
Show SMILES Clc1ccc(OC2CCN(CC[C@@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 |r|
Show InChI InChI=1S/C25H30ClN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558239
PNG
(CHEMBL4781228)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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 2.10n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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 2.30n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HEK293 cells after 60 mins by liquid scintillation spectromet...

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM327460
PNG
(4-amino-5-chloro-[[1-(cyclohexylmethyl)-4-piperidy...)
Show SMILES COc1c(CC2CCN(CC3CCCCC3)CC2)c(N)c(Cl)cc1C(N)=O
Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-16(19(23)18(22)12-17(20)21(24)26)11-14-7-9-25(10-8-14)13-15-5-3-2-4-6-15/h12,14-15H,2-11,13,23H2,1H3,(H2,24,26)
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US Patent
 2.30n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079377
PNG
(CHEMBL3417007)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-7-9-25(10-8-15)14-16-5-3-2-4-6-16/h11-12,15-16H,2-10,13-14,23H2,1H3,(H,24,26)
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 2.30n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM327466
PNG
(1-[4-amino-5-chloro-2-(2-fluoroéthoxy)phenyl]-3-[1...)
Show SMILES Nc1cc(OCCF)c(cc1Cl)C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H34ClFN2O2/c24-20-14-19(23(15-21(20)26)29-13-10-25)22(28)7-6-17-8-11-27(12-9-17)16-18-4-2-1-3-5-18/h14-15,17-18H,1-13,16,26H2
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US Patent
 2.5n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM327456
PNG
(1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-[(piperi...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h12-13,15-16,24H,2-11,14,23H2,1H3
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US Patent
 2.5n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079367
PNG
(CHEMBL3416998)
Show SMILES Cl.COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h12-13,15-16,24H,2-11,14,23H2,1H3
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 2.5n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50458526
PNG
(CHEMBL4205349)
Show SMILES CN(C)CCc1cccc(c1)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3
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 2.5n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50395192
PNG
(CHEMBL2164336)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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 2.60n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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 2.90n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HeLa cells after 60 mins by scintillation spectrometry

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079365
PNG
(CHEMBL3416996 | US9663465, 8)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3
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 3n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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 3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in BHK cell membrane measured after 60 mins by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113059
BindingDB Entry DOI: 10.7270/Q2KP85V3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM50079365
PNG
(CHEMBL3416996 | US9663465, 8)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3
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 3n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50150405
PNG
(CHEMBL182797 | N-(2-Phenoxy-ethyl)-N''-(1-phenyl-e...)
Show SMILES CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)
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 3n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50151310
PNG
(CHEMBL3302600)
Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN4O4/c1-24(17-7-9-18(25)10-8-17)22(31)29(23(32)26-24)16-19(30)15-27-11-13-28(14-12-27)20-5-3-4-6-21(20)33-2/h3-10,19,30H,11-16H2,1-2H3,(H,26,32)
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 3n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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 3.20n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50507212
PNG
(CHEMBL4585990)
Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2
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 3.30n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method

Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50510968
PNG
(CHEMBL4533865)
Show SMILES CNC(=O)Cn1c2CCN(CCCCC34CCCc5cccc(NC3=O)c45)Cc2c2ccccc12
Show InChI InChI=1S/C29H34N4O2/c1-30-26(34)19-33-24-12-3-2-10-21(24)22-18-32(17-13-25(22)33)16-5-4-14-29-15-7-9-20-8-6-11-23(27(20)29)31-28(29)35/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,30,34)(H,31,35)
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 3.5n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558245
PNG
(CHEMBL4789661)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
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 3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM327448
PNG
(1-(4-amino-5-fluoro-2-methoxyphenyl)-3-[1-(cyclohe...)
Show SMILES COc1cc(N)c(F)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33FN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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US Patent
 3.80n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079366
PNG
(CHEMBL3416997 | US9663465, 12)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3
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 3.90n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM50079366
PNG
(CHEMBL3416997 | US9663465, 12)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3
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 3.90n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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 4n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African green monkey COS7 cells

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50562651
PNG
(CHEMBL4788250)
Show SMILES Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
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 4.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane measured after 60 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113059
BindingDB Entry DOI: 10.7270/Q2KP85V3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50510967
PNG
(CHEMBL3139441)
Show SMILES COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
Show InChI InChI=1S/C30H29N3O/c1-34-30-16-7-6-14-29(30)32-19-17-31(18-20-32)21-24-22-33(27-13-5-4-12-26(24)27)28-15-8-10-23-9-2-3-11-25(23)28/h2-16,22H,17-21H2,1H3
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 4.5n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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 4.80n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells by scintillation counter

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50079369
PNG
(CHEMBL3417000 | US9663465, 11)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2C)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-16-5-3-4-6-18(16)15-26-11-9-17(10-12-26)7-8-22(27)19-13-20(24)21(25)14-23(19)28-2/h13-14,16-18H,3-12,15,25H2,1-2H3
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 4.90n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay

J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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 5n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African green monkey COS7 cells

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50507209
PNG
(CHEMBL4537101)
Show SMILES COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3
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 5.10n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method

Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50507211
PNG
(CHEMBL4444843)
Show SMILES Clc1cc(cc2cc[nH]c12)C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2
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 5.10n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method

Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)		BDBM50558234
PNG
(CHEMBL4780536)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
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 5.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins

Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.048
BindingDB Entry DOI: 10.7270/Q2VX0M78
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM327461
PNG
(4-amino-5-bromo-N-[[1-(cyclohexylmethyl)-4-piperid...)
Show SMILES COc1cc(N)c(Br)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H32BrN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-7-9-25(10-8-15)14-16-5-3-2-4-6-16/h11-12,15-16H,2-10,13-14,23H2,1H3,(H,24,26)
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US Patent
 5.40n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...

US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50507208
PNG
(CHEMBL4526050)
Show SMILES COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H27ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h2-6,9,12,15,17,26H,7-8,10-11,13-14,16H2,1H3
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 5.70n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method

Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM50515598
PNG
(CHEMBL4526049)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1
Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3
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 5.90n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111596
BindingDB Entry DOI: 10.7270/Q2988BC8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM21354
PNG
(2-{1-[(5-chlorothiophene-2-)sulfonyl]-1H-indol-3-y...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C14H13ClN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2
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 6n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter

J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
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