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Compile Data Set for Download or QSAR

Found 561 hits with Last Name = 'staro?' and Initial = 'j'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]RTI55 binding from human wild type SERT


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113533
BindingDB Entry DOI: 10.7270/Q24T6P6C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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] raclopride from human recombinant D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562710
PNG
(CHEMBL4759730)
Show SMILES CN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112916
BindingDB Entry DOI: 10.7270/Q22R3WD3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50578580
PNG
(CHEMBL4848081)
Show SMILES Brc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]RTI55 binding from human wild type SERT


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113533
BindingDB Entry DOI: 10.7270/Q24T6P6C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50504838
PNG
(CHEMBL4437523)
Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(F)cc23)o1
Show InChI InChI=1S/C21H19FN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2
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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 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
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))
BDBM50504839
PNG
(CHEMBL4584504)
Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3cc(F)ccc23)o1
Show InChI InChI=1S/C21H19FN2O2/c22-16-3-7-19-15(12-24-20(19)11-16)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2
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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 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
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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2.10n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513438
PNG
(CHEMBL4574931)
Show SMILES Cl.COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H18N4O3S/c1-12-18(22-19(20)21-12)16-11-23(17-9-8-13(26-2)10-15(16)17)27(24,25)14-6-4-3-5-7-14/h3-11H,1-2H3,(H3,20,21,22)
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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))
BDBM50504842
PNG
(CHEMBL4583082)
Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C22H22N2O3/c1-26-18-6-8-21-20(12-18)16(13-24-21)10-11-23-14-19-7-9-22(27-19)15-2-4-17(25)5-3-15/h2-9,12-13,23-25H,10-11,14H2,1H3
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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 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
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))
BDBM50019754
PNG
(IDALOPIRDINE | LU-AE58054)
Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
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3.5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513435
PNG
(CHEMBL4472629)
Show SMILES Cl.Cc1nc(N)[nH]c1-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H16N4O2S/c1-12-17(21-18(19)20-12)14-8-7-13-9-10-22(16(13)11-14)25(23,24)15-5-3-2-4-6-15/h2-11H,1H3,(H3,19,20,21)
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4n/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))
BDBM50334252
PNG
(3-(4-methylpiperazin-1-yl)-1-(phenylsulfonyl)-1H-i...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-20-11-13-21(14-12-20)19-15-22(18-10-6-5-9-17(18)19)25(23,24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112916
BindingDB Entry DOI: 10.7270/Q22R3WD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50524111
PNG
(CHEMBL4452569)
Show SMILES CCn1cncc1-c1c[nH]c2ccc(I)c(F)c12
Show InChI InChI=1S/C13H11FIN3/c1-2-18-7-16-6-11(18)8-5-17-10-4-3-9(15)13(14)12(8)10/h3-7,17H,2H2,1H3
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4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50578573
PNG
(CHEMBL4869180)
Show SMILES CNCCC(Oc1ccc(Cl)c(Cl)c1)c1ccccc1
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scintillation analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113533
BindingDB Entry DOI: 10.7270/Q24T6P6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50524116
PNG
(CHEMBL4469847)
Show SMILES CCn1cncc1-c1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C14H14N4O/c1-2-18-8-16-7-13(18)11-6-17-12-4-3-9(14(15)19)5-10(11)12/h3-8,17H,2H2,1H3,(H2,15,19)
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5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50504843
PNG
(CHEMBL4438434)
Show SMILES Cc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C22H22N2O2/c1-15-2-8-21-20(12-15)17(13-24-21)10-11-23-14-19-7-9-22(26-19)16-3-5-18(25)6-4-16/h2-9,12-13,23-25H,10-11,14H2,1H3
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5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed in CHOK1 cells after 1 hr by microbeta scintillation counting method


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells incubated for 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 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells incubated for 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 7


(Homo sapiens (Human))
BDBM50458530
PNG
(CHEMBL4216263)
Show SMILES CCn1cncc1-c1c[nH]c2ccc(I)cc12
Show InChI InChI=1S/C13H12IN3/c1-2-17-8-15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-8,16H,2H2,1H3
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6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50504814
PNG
(CHEMBL4465414)
Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2
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7n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50504847
PNG
(CHEMBL4516220)
Show SMILES CN1NCc2c1nc(nc2NCc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C18H25N7/c1-23-8-10-25(11-9-23)18-21-16(15-13-20-24(2)17(15)22-18)19-12-14-6-4-3-5-7-14/h3-7,20H,8-13H2,1-2H3,(H,19,21,22)
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7n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6R (unknown origin) assessed as inhibitory constant


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50524113
PNG
(CHEMBL4541526)
Show SMILES Cn1cncc1-c1c[nH]c2ccc(I)cc12
Show InChI InChI=1S/C12H10IN3/c1-16-7-14-6-12(16)10-5-15-11-3-2-8(13)4-9(10)11/h2-7,15H,1H3
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8n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513431
PNG
(CHEMBL4471055)
Show SMILES Cl.Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H18N4O2S/c1-14-21(25-22(23)24-14)18-13-26(19-11-5-4-10-17(18)19)29(27,28)20-12-6-8-15-7-2-3-9-16(15)20/h2-13H,1H3,(H3,23,24,25)
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8n/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))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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8.30n/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))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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8.80n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting meth...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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8.80n/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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50578564
PNG
(CHEMBL4853402)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(Cl)c(Cl)c1
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scintillation analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113533
BindingDB Entry DOI: 10.7270/Q24T6P6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513433
PNG
(CHEMBL4465638)
Show SMILES CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H21FN4O4S/c1-4-20(28)25-22-24-13(2)21(26-22)18-12-27(19-9-8-15(31-3)11-17(18)19)32(29,30)16-7-5-6-14(23)10-16/h5-12H,4H2,1-3H3,(H2,24,25,26,28)
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9n/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))
BDBM50513417
PNG
(CHEMBL4451939)
Show SMILES Cl.COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N4O3S/c1-14-22(26-23(24)25-14)20-13-27(21-10-8-17(30-2)12-19(20)21)31(28,29)18-9-7-15-5-3-4-6-16(15)11-18/h3-13H,1-2H3,(H3,24,25,26)
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9n/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))
BDBM50513416
PNG
(CHEMBL4590882)
Show SMILES Cl.COc1ccc2n(cc(-c3cnc(N)[nH]3)c2c1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H15FN4O3S/c1-26-12-5-6-17-14(8-12)15(16-9-21-18(20)22-16)10-23(17)27(24,25)13-4-2-3-11(19)7-13/h2-10H,1H3,(H3,20,21,22)
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9n/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))
BDBM50513399
PNG
(CHEMBL4552168)
Show SMILES Cl.COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H17FN4O3S/c1-11-18(23-19(21)22-11)16-10-24(17-7-6-13(27-2)9-15(16)17)28(25,26)14-5-3-4-12(20)8-14/h3-10H,1-2H3,(H3,21,22,23)
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9n/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))
BDBM50562696
PNG
(CHEMBL4759208)
Show SMILES CN1CCN(CC1)c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor incubated for 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112916
BindingDB Entry DOI: 10.7270/Q22R3WD3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513436
PNG
(CHEMBL4441060)
Show SMILES Cl.Nc1ncc([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O2S/c18-17-19-10-15(20-17)14-11-21(16-9-5-4-8-13(14)16)24(22,23)12-6-2-1-3-7-12/h1-11H,(H3,18,19,20)
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10n/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))
BDBM50513439
PNG
(CHEMBL4513458)
Show SMILES CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H24N4O4S/c1-4-24(31)28-26-27-16(2)25(29-26)21-15-30(22-13-12-18(34-3)14-20(21)22)35(32,33)23-11-7-9-17-8-5-6-10-19(17)23/h5-15H,4H2,1-3H3,(H2,27,28,29,31)
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10n/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))
BDBM50513408
PNG
(CHEMBL4469792)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H22N4O4S/c1-15-24(28-25(26-15)27-16(2)30)21-14-29(22-12-11-18(33-3)13-20(21)22)34(31,32)23-10-6-8-17-7-4-5-9-19(17)23/h4-14H,1-3H3,(H2,26,27,28,30)
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10n/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))
BDBM50513402
PNG
(CHEMBL4461327)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20N4O4S/c1-13-20(24-21(22-13)23-14(2)26)18-12-25(19-10-9-15(29-3)11-17(18)19)30(27,28)16-7-5-4-6-8-16/h4-12H,1-3H3,(H2,22,23,24,26)
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10n/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))
BDBM50513396
PNG
(CHEMBL4442332)
Show SMILES Cl.COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N4O3S/c1-14-22(26-23(24)25-14)19-13-27(20-11-10-16(30-2)12-18(19)20)31(28,29)21-9-5-7-15-6-3-4-8-17(15)21/h3-13H,1-2H3,(H3,24,25,26)
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10n/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))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50504838
PNG
(CHEMBL4437523)
Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(F)cc23)o1
Show InChI InChI=1S/C21H19FN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2
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11n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513423
PNG
(CHEMBL4566557)
Show SMILES CC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H20N4O3S/c1-15-23(27-24(25-15)26-16(2)29)20-14-28(21-12-6-5-11-19(20)21)32(30,31)22-13-7-9-17-8-3-4-10-18(17)22/h3-14H,1-2H3,(H2,25,26,27,29)
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13n/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))
BDBM50513405
PNG
(CHEMBL4521199)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H19FN4O4S/c1-12-20(25-21(23-12)24-13(2)27)18-11-26(19-8-7-15(30-3)10-17(18)19)31(28,29)16-6-4-5-14(22)9-16/h4-11H,1-3H3,(H2,23,24,25,27)
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14n/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 7


(Homo sapiens (Human))
BDBM50524110
PNG
(CHEMBL4585956)
Show SMILES Cn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
Show InChI InChI=1S/C12H9BrFN3/c1-17-6-15-5-10(17)7-4-16-9-3-2-8(13)12(14)11(7)9/h2-6,16H,1H3
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14n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513397
PNG
(CHEMBL4440402)
Show SMILES CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H22N4O4S/c1-4-20(27)24-22-23-14(2)21(25-22)18-13-26(19-11-10-15(30-3)12-17(18)19)31(28,29)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H2,23,24,25,27)
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14n/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))
BDBM50504816
PNG
(CHEMBL4474618)
Show SMILES COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12
Show InChI InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3
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14n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111857
BindingDB Entry DOI: 10.7270/Q2833W92
More data for this
Ligand-Target Pair
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