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Compile Data Set for Download or QSAR

Found 348 hits with Last Name = 'kalinowska-t?u?cik' 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
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
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
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))
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))
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))
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 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 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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50515627
PNG
(CHEMBL4553260)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:35:36:38:42.40.41,THB:40:39:36:42.41.43,40:41:36:38.39.45,43:41:38:36.45.44,43:44:38:42.40.41,(62.85,-14.7,;62.09,-13.36,;62.86,-12.03,;60.55,-13.36,;59.64,-14.6,;58.17,-14.12,;56.84,-14.9,;55.5,-14.12,;54.17,-14.89,;55.51,-12.58,;56.84,-11.81,;58.18,-12.58,;59.64,-12.11,;60.12,-10.64,;59.1,-9.5,;57.59,-9.81,;56.56,-8.66,;57.05,-7.2,;56.02,-6.06,;54.51,-6.37,;53.49,-5.23,;51.98,-5.55,;50.95,-4.4,;49.45,-4.72,;48.42,-3.58,;48.89,-2.11,;50.4,-1.79,;51.43,-2.94,;52.94,-2.62,;54.04,-7.85,;55.07,-8.99,;59.58,-8.03,;58.55,-6.88,;61.63,-10.33,;62.89,-11.2,;62.11,-8.86,;63.62,-8.55,;64.71,-9.56,;64.82,-11.31,;65.54,-9.92,;66.91,-9.28,;66.67,-7.66,;65.97,-8.92,;65.56,-6.61,;64.18,-7.24,;64.37,-8.84,)|
Show InChI InChI=1S/C36H35BrClN3O5/c37-29-4-2-1-3-23(29)18-46-27-8-5-20(6-9-27)17-41(19-42)34(31-28-10-7-26(38)16-30(28)39-33(31)36(44)45)35(43)40-32-24-12-21-11-22(14-24)15-25(32)13-21/h1-10,16,19,21-22,24-25,32,34,39H,11-15,17-18H2,(H,40,43)(H,44,45)
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6n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50515640
PNG
(CHEMBL4532127)
Show SMILES [H][C@]12CC[C@@](C)(C(C1)NC(=O)C(N(Cc1ccc(OCc3ccccc3Br)cc1)C=O)c1c([nH]c3cc(Cl)ccc13)C(O)=O)C2(C)C |r,TLB:8:6:44:2.3|
Show InChI InChI=1S/C36H37BrClN3O5/c1-35(2)23-14-15-36(35,3)29(16-23)40-33(43)32(30-26-13-10-24(38)17-28(26)39-31(30)34(44)45)41(20-42)18-21-8-11-25(12-9-21)46-19-22-6-4-5-7-27(22)37/h4-13,17,20,23,29,32,39H,14-16,18-19H2,1-3H3,(H,40,43)(H,44,45)/t23-,29?,32?,36-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3
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 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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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 6


(Homo sapiens (Human))
BDBM50513414
PNG
(CHEMBL4586353)
Show SMILES Cl.Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H16N4O2S/c1-12-17(21-18(19)20-12)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21)
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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))
BDBM50513424
PNG
(CHEMBL4474829)
Show SMILES CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H22N4O3S/c1-3-23(30)27-25-26-16(2)24(28-25)20-15-29(21-13-7-6-12-19(20)21)33(31,32)22-14-8-10-17-9-4-5-11-18(17)22/h4-15H,3H2,1-2H3,(H2,26,27,28,30)
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15n/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))
BDBM50513437
PNG
(CHEMBL4469147)
Show SMILES CC(=O)Nc1nc(C)c([nH]1)-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H18N4O3S/c1-13-19(23-20(21-13)22-14(2)25)16-9-8-15-10-11-24(18(15)12-16)28(26,27)17-6-4-3-5-7-17/h3-12H,1-2H3,(H2,21,22,23,25)
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15n/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))
BDBM50513420
PNG
(CHEMBL4466071)
Show SMILES CCC(=O)Nc1nc(CC)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O4S/c1-4-19-22(26-23(24-19)25-21(28)5-2)18-14-27(20-12-11-15(31-3)13-17(18)20)32(29,30)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H2,24,25,26,28)
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16n/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))
BDBM50513406
PNG
(CHEMBL4483304)
Show SMILES CCC(=O)Nc1nc(C)c([nH]1)-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20N4O3S/c1-3-19(26)23-21-22-14(2)20(24-21)16-10-9-15-11-12-25(18(15)13-16)29(27,28)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,22,23,24,26)
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17n/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))
BDBM50513419
PNG
(CHEMBL4592085)
Show SMILES COc1ccc2n(cc(-c3cnc(NC(C)=O)[nH]3)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H18N4O4S/c1-13(25)22-20-21-11-18(23-20)17-12-24(19-9-8-14(28-2)10-16(17)19)29(26,27)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22,23,25)
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18n/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))
BDBM50513390
PNG
(CHEMBL4516784)
Show SMILES Cl.CCc1nc(N)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3S/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H3,21,22,23)
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19n/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))
BDBM50513413
PNG
(CHEMBL4520003)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NCc4ccccc4)nc3C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H24N4O3S/c1-18-25(29-26(28-18)27-16-19-9-5-3-6-10-19)23-17-30(24-14-13-20(33-2)15-22(23)24)34(31,32)21-11-7-4-8-12-21/h3-15,17H,16H2,1-2H3,(H2,27,28,29)
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21n/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))
BDBM50513426
PNG
(CHEMBL4453733)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NCC(F)F)nc3C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20F2N4O3S/c1-13-20(26-21(25-13)24-11-19(22)23)17-12-27(18-9-8-14(30-2)10-16(17)18)31(28,29)15-6-4-3-5-7-15/h3-10,12,19H,11H2,1-2H3,(H2,24,25,26)
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21n/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))
BDBM50513391
PNG
(CHEMBL4453250)
Show SMILES COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H22N4O4S/c1-15-24(28-25(26-15)27-16(2)30)22-14-29(23-11-9-19(33-3)13-21(22)23)34(31,32)20-10-8-17-6-4-5-7-18(17)12-20/h4-14H,1-3H3,(H2,26,27,28,30)
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23n/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))
BDBM50513398
PNG
(CHEMBL4446215)
Show SMILES CC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H18N4O3S/c1-13-19(23-20(21-13)22-14(2)25)17-12-24(18-11-7-6-10-16(17)18)28(26,27)15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,21,22,23,25)
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25n/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))
BDBM50562703
PNG
(CHEMBL4753562)
Show SMILES CN1CCN(CC1)c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1
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27n/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))
BDBM50513430
PNG
(CHEMBL4469860)
Show SMILES Cl.CCc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H18N4O2S/c1-2-16-18(22-19(20)21-16)15-12-23(17-11-7-6-10-14(15)17)26(24,25)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H3,20,21,22)
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29n/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))
BDBM50513400
PNG
(CHEMBL4571469)
Show SMILES CCc1nc(NC(C)=O)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H22N4O4S/c1-4-19-21(25-22(24-19)23-14(2)27)18-13-26(20-11-10-15(30-3)12-17(18)20)31(28,29)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H2,23,24,25,27)
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31n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50562710
PNG
(CHEMBL4759730)
Show SMILES CN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Raclopride from dopamine D2 receptor (unknown origin) 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 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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32n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 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 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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32n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50515618
PNG
(CHEMBL4453505)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccccc2I)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C30H29ClIN3O5/c1-30(2,3)34-28(37)27(25-22-13-10-20(31)14-24(22)33-26(25)29(38)39)35(17-36)15-18-8-11-21(12-9-18)40-16-19-6-4-5-7-23(19)32/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)
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34n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50515604
PNG
(CHEMBL4562216)
Show SMILES CC(C)(C)NC(=O)[C@@H](N(Cc1ccc(OCc2ccccc2Br)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O |r|
Show InChI InChI=1S/C30H29BrClN3O5/c1-30(2,3)34-28(37)27(25-22-13-10-20(32)14-24(22)33-26(25)29(38)39)35(17-36)15-18-8-11-21(12-9-18)40-16-19-6-4-5-7-23(19)31/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50513418
PNG
(CHEMBL4450907)
Show SMILES Cl.Nc1ncc([nH]1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O2S/c18-17-19-11-15(20-17)13-7-4-8-16-14(13)9-10-21(16)24(22,23)12-5-2-1-3-6-12/h1-11H,(H3,18,19,20)
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34n/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))
BDBM50562690
PNG
(CHEMBL4795207)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2ccc(cc12)-c1ccncc1
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38n/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 2A


(Homo sapiens (Human))
BDBM50562710
PNG
(CHEMBL4759730)
Show SMILES CN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) incubated for 1 hr by microbeta counting based displacement assay


Citation and Details

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