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Compile Data Set for Download or QSAR

Found 732 hits with Last Name = 'nikiforuk' and Initial = 'a'   
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
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462179
PNG
(CHEMBL4245263)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-21-7-8-24-25(16-21)35-30-27(24)19-9-13-31(14-10-19)15-11-22-5-3-12-32(22)36(33,34)26-18-29-17-20-4-1-2-6-23(20)26/h1-2,4,6-8,16-19,22H,3,5,9-15H2/t22-/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462156
PNG
(CHEMBL4246655)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m0/s1
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 0.140n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29563
PNG
(1-(m-trifluorophenyl)piperazine, 10)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)|
Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h3-5,16,18-19H,1-2,6-15H2
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 0.300 -56.5n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462155
PNG
(CHEMBL4239091)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50462179
PNG
(CHEMBL4245263)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-21-7-8-24-25(16-21)35-30-27(24)19-9-13-31(14-10-19)15-11-22-5-3-12-32(22)36(33,34)26-18-29-17-20-4-1-2-6-23(20)26/h1-2,4,6-8,16-19,22H,3,5,9-15H2/t22-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462148
PNG
(CHEMBL4242392)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462142
PNG
(CHEMBL4242858)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50419052
PNG
(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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 0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 0.851n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 long receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method

Eur J Med Chem 179: 1-15 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.001
BindingDB Entry DOI: 10.7270/Q2S185TZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 0.900n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 long receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method

Eur J Med Chem 179: 1-15 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.001
BindingDB Entry DOI: 10.7270/Q2S185TZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462152
PNG
(CHEMBL4238679)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m1/s1
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 0.900n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50579346
PNG
(CHEMBL4867565)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
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 0.930n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT3 receptor (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50462168
PNG
(CHEMBL4243848)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C27H30N4O2S2/c32-35(33,27-10-1-7-24-22(27)6-3-13-28-24)31-14-4-5-21(31)11-15-29-16-18-30(19-17-29)25-8-2-9-26-23(25)12-20-34-26/h1-3,6-10,12-13,20-21H,4-5,11,14-19H2/t21-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50462142
PNG
(CHEMBL4242858)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462138
PNG
(CHEMBL4246202)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m0/s1
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 1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50462155
PNG
(CHEMBL4239091)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29567
PNG
(1-(m-trifluorophenyl)piperazine, 14)
Show SMILES CC1=C(C)C(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1,(-6.6,7.5,;-5.1,7.88,;-4.69,9.37,;-5.77,10.47,;-3.15,9.43,;-2.38,10.77,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.82,7.03,;-3.82,5.49,)|
Show InChI InChI=1S/C23H28F3N3O2/c1-15-16(2)22(31)29(21(15)30)19-8-6-18(7-9-19)27-10-12-28(13-11-27)20-5-3-4-17(14-20)23(24,25)26/h3-5,14,18-19H,6-13H2,1-2H3
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 1.30 -52.8n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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 1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29565
PNG
(1-(m-trifluorophenyl)piperazine, 12)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-6.32,9.53,;-7.65,8.75,;-7.65,7.21,;-6.32,6.45,;-4.98,7.22,;-3.52,6.74,;-3.12,5.25,)|
Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h1-5,16,18-19,21-22H,6-15H2
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 1.5 -52.4n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462169
PNG
(CHEMBL4241050)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-20-8-9-23-25(18-20)35-30-27(23)19-10-15-31(16-11-19)17-12-21-4-3-14-32(21)36(33,34)26-7-1-6-24-22(26)5-2-13-29-24/h1-2,5-9,13,18-19,21H,3-4,10-12,14-17H2/t21-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50513415
PNG
(CHEMBL4435010)
Show SMILES Cl.COc1ccc2n(cc(-c3cnc(N)[nH]3)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c1-25-12-7-8-17-14(9-12)15(16-10-20-18(19)21-16)11-22(17)26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H3,19,20,21)
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 2n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method

Eur J Med Chem 179: 1-15 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.001
BindingDB Entry DOI: 10.7270/Q2S185TZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579339
PNG
(CHEMBL4865309)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2n(ccc12)S(=O)(=O)c1ccccc1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579341
PNG
(CHEMBL4860809)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2n(ccc12)S(=O)(=O)c1cccc(F)c1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579342
PNG
(CHEMBL4872586)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2n(ccc12)S(=O)(=O)c1cccc(Cl)c1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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 2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462177
PNG
(CHEMBL4250475)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-20-8-9-23-25(18-20)35-30-27(23)19-10-15-31(16-11-19)17-12-21-4-3-14-32(21)36(33,34)26-7-1-6-24-22(26)5-2-13-29-24/h1-2,5-9,13,18-19,21H,3-4,10-12,14-17H2/t21-/m1/s1
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 2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29566
PNG
(1-(m-trifluorophenyl)piperazine, 13)
Show SMILES CC1=C(C)C(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1|
Show InChI InChI=1S/C21H26F3N3O2/c1-15-16(2)20(29)27(19(15)28)9-4-3-8-25-10-12-26(13-11-25)18-7-5-6-17(14-18)21(22,23)24/h5-7,14H,3-4,8-13H2,1-2H3
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 2.20 -51.4n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29561
PNG
(1-(m-trifluorophenyl)piperazine, 8)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.43,9.3,;-2.66,10.63,;-4.97,9.24,;-5.69,7.88,;-4.88,6.58,;-3.34,6.63,;-2.57,5.3,)|
Show InChI InChI=1S/C22H28F3N3O2/c23-22(24,25)16-3-1-4-19(15-16)27-13-11-26(12-14-27)17-7-9-18(10-8-17)28-20(29)5-2-6-21(28)30/h1,3-4,15,17-18H,2,5-14H2
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 2.60 -51.0n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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 2.80n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting

Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50274767
PNG
(CHEMBL4125735)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c12 |r|
Show InChI InChI=1S/C21H19ClN4O2S/c22-14-4-3-5-16(12-14)29(27,28)26-11-9-18-20(26)17-6-1-2-7-19(17)25-21(18)24-15-8-10-23-13-15/h1-7,9,11-12,15,23H,8,10,13H2,(H,24,25)/t15-/m0/s1
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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 HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50206353
PNG
(1-(adamantylcarbonyl)-N-{4-[4-(2-methoxyphenyl)pip...)
Show SMILES COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C30H45N3O2/c1-35-28-10-3-2-9-27(28)32-15-13-31(14-16-32)11-5-4-7-26-8-6-12-33(26)29(34)30-20-23-17-24(21-30)19-25(18-23)22-30/h2-3,9-10,23-26H,4-8,11-22H2,1H3/t23?,24?,25?,26-,30?/m1/s1
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 3n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus

Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50513432
PNG
(CHEMBL4586990)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NC(=O)Cc4ccccc4)nc3C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O4S/c1-18-26(30-27(28-18)29-25(32)15-19-9-5-3-6-10-19)23-17-31(24-14-13-20(35-2)16-22(23)24)36(33,34)21-11-7-4-8-12-21/h3-14,16-17H,15H2,1-2H3,(H2,28,29,30,32)
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 3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method

Eur J Med Chem 179: 1-15 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.001
BindingDB Entry DOI: 10.7270/Q2S185TZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579346
PNG
(CHEMBL4867565)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
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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 HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579347
PNG
(CHEMBL4846153)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
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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 HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579348
PNG
(CHEMBL4862354)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
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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 HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579349
PNG
(CHEMBL4870374)
Show SMILES Cc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
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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 HEK293 cell membranes measured after 1 hr by microbeta counting method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462137
PNG
(CHEMBL4243579)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O3S/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462151
PNG
(CHEMBL4250274)
Show SMILES O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C28H33N5O2S2/c34-37(35,27-13-15-29-25-11-5-3-9-23(25)27)33-16-7-1-2-8-22(33)14-17-31-18-20-32(21-19-31)28-24-10-4-6-12-26(24)36-30-28/h3-6,9-13,15,22H,1-2,7-8,14,16-21H2/t22-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462178
PNG
(CHEMBL4245997)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C27H31N5O2S/c33-35(34,27-20-28-19-21-5-1-2-7-23(21)27)32-13-4-6-22(32)11-14-30-15-17-31(18-16-30)26-9-3-8-25-24(26)10-12-29-25/h1-3,5,7-10,12,19-20,22,29H,4,6,11,13-18H2/t22-/m1/s1
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 3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50462181
PNG
(CHEMBL4249640)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O3S/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50462173
PNG
(CHEMBL4238479)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C27H30N4O2S2/c32-35(33,27-8-1-4-21-20-28-12-9-23(21)27)31-13-3-5-22(31)10-14-29-15-17-30(18-16-29)25-6-2-7-26-24(25)11-19-34-26/h1-2,4,6-9,11-12,19-20,22H,3,5,10,13-18H2/t22-/m1/s1
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 3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50462152
PNG
(CHEMBL4238679)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m1/s1
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 3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method

Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29560
PNG
(1-(m-trifluorophenyl)piperazine, 7)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C20H26F3N3O2/c21-20(22,23)16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-1-2-10-26-18(27)7-4-8-19(26)28/h3,5-6,15H,1-2,4,7-14H2
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 3 -50.6n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
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