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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50001820   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378185
PNG
(CHEMBL4162688)
Show SMILES CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
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1.40E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378188
PNG
(CHEMBL4177293)
Show SMILES CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24FNO/c1-16-5-7-18(8-6-16)17(2)24-14-13-21(22-4-3-15-25-22)19-9-11-20(23)12-10-19/h3-12,15,17,21,24H,13-14H2,1-2H3
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1.80E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378186
PNG
(CHEMBL4174981)
Show SMILES FC(F)(F)C1(Nc2ccccn2)N=C(N(Cc2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C22H17F3N4O/c23-22(24,25)21(27-18-13-7-8-14-26-18)20(30)29(15-16-9-3-1-4-10-16)19(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27)
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1.90E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378183
PNG
(CHEMBL4174845)
Show SMILES COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
Show InChI InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
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2.40E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378190
PNG
(CHEMBL4164143)
Show SMILES CC(NCCC(c1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-16-5-7-19(8-6-16)21(22-4-3-15-25-22)13-14-24-17(2)18-9-11-20(23)12-10-18/h3-12,15,17,21,24H,13-14H2,1-2H3
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2.50E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378189
PNG
(CHEMBL4164250)
Show SMILES COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
Show InChI InChI=1S/C23H29NO2/c1-25-23-16-21(17-24-15-14-19-8-4-2-5-9-19)12-13-22(23)26-18-20-10-6-3-7-11-20/h3,6-8,10-13,16,24H,2,4-5,9,14-15,17-18H2,1H3
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2.70E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378184
PNG
(CHEMBL4175296)
Show SMILES CCC1(C)CC(CCNCc2ccc(OC)c(OC)c2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C26H37NO3/c1-6-25(3)19-26(14-16-30-25,22-10-7-20(2)8-11-22)13-15-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3
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3.40E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378181
PNG
(CHEMBL4166667)
Show SMILES CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C23H24BrNO/c1-17-8-10-19(11-9-17)16-26-23-13-12-22(24)14-21(23)15-25-18(2)20-6-4-3-5-7-20/h3-14,18,25H,15-16H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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3.70E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378185
PNG
(CHEMBL4162688)
Show SMILES CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
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3.80E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378189
PNG
(CHEMBL4164250)
Show SMILES COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
Show InChI InChI=1S/C23H29NO2/c1-25-23-16-21(17-24-15-14-19-8-4-2-5-9-19)12-13-22(23)26-18-20-10-6-3-7-11-20/h3,6-8,10-13,16,24H,2,4-5,9,14-15,17-18H2,1H3
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4.90E+3n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378181
PNG
(CHEMBL4166667)
Show SMILES CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C23H24BrNO/c1-17-8-10-19(11-9-17)16-26-23-13-12-22(24)14-21(23)15-25-18(2)20-6-4-3-5-7-20/h3-14,18,25H,15-16H2,1-2H3
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5.10E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378187
PNG
(CHEMBL4170813)
Show SMILES CCC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C24H33NO/c1-4-23(3)19-24(15-17-26-23,22-12-10-20(2)11-13-22)14-16-25-18-21-8-6-5-7-9-21/h5-13,25H,4,14-19H2,1-3H3
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5.60E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378182
PNG
(CHEMBL4160177)
Show SMILES CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
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5.80E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378183
PNG
(CHEMBL4174845)
Show SMILES COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
Show InChI InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
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6.10E+3n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378182
PNG
(CHEMBL4160177)
Show SMILES CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
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6.10E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378188
PNG
(CHEMBL4177293)
Show SMILES CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24FNO/c1-16-5-7-18(8-6-16)17(2)24-14-13-21(22-4-3-15-25-22)19-9-11-20(23)12-10-19/h3-12,15,17,21,24H,13-14H2,1-2H3
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6.10E+3n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378185
PNG
(CHEMBL4162688)
Show SMILES CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
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7.10E+3n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378189
PNG
(CHEMBL4164250)
Show SMILES COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
Show InChI InChI=1S/C23H29NO2/c1-25-23-16-21(17-24-15-14-19-8-4-2-5-9-19)12-13-22(23)26-18-20-10-6-3-7-11-20/h3,6-8,10-13,16,24H,2,4-5,9,14-15,17-18H2,1H3
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8.00E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378190
PNG
(CHEMBL4164143)
Show SMILES CC(NCCC(c1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-16-5-7-19(8-6-16)21(22-4-3-15-25-22)13-14-24-17(2)18-9-11-20(23)12-10-18/h3-12,15,17,21,24H,13-14H2,1-2H3
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8.40E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378180
PNG
(CHEMBL4166092)
Show SMILES O[C@H](CCN1CCc2onc(c2C1)-c1ccc(F)c(F)c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20F2N2O2/c22-17-7-6-15(12-18(17)23)21-16-13-25(11-9-20(16)27-24-21)10-8-19(26)14-4-2-1-3-5-14/h1-7,12,19,26H,8-11,13H2/t19-/m1/s1
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9.00E+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-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378190
PNG
(CHEMBL4164143)
Show SMILES CC(NCCC(c1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-16-5-7-19(8-6-16)21(22-4-3-15-25-22)13-14-24-17(2)18-9-11-20(23)12-10-18/h3-12,15,17,21,24H,13-14H2,1-2H3
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9.10E+3n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378187
PNG
(CHEMBL4170813)
Show SMILES CCC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C24H33NO/c1-4-23(3)19-24(15-17-26-23,22-12-10-20(2)11-13-22)14-16-25-18-21-8-6-5-7-9-21/h5-13,25H,4,14-19H2,1-3H3
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1.01E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378183
PNG
(CHEMBL4174845)
Show SMILES COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
Show InChI InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
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1.04E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378188
PNG
(CHEMBL4177293)
Show SMILES CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24FNO/c1-16-5-7-18(8-6-16)17(2)24-14-13-21(22-4-3-15-25-22)19-9-11-20(23)12-10-19/h3-12,15,17,21,24H,13-14H2,1-2H3
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1.25E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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1.41E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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1.56E+4n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378182
PNG
(CHEMBL4160177)
Show SMILES CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
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3.14E+4n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378184
PNG
(CHEMBL4175296)
Show SMILES CCC1(C)CC(CCNCc2ccc(OC)c(OC)c2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C26H37NO3/c1-6-25(3)19-26(14-16-30-25,22-10-7-20(2)8-11-22)13-15-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3
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3.68E+4n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378184
PNG
(CHEMBL4175296)
Show SMILES CCC1(C)CC(CCNCc2ccc(OC)c(OC)c2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C26H37NO3/c1-6-25(3)19-26(14-16-30-25,22-10-7-20(2)8-11-22)13-15-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3
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3.72E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378187
PNG
(CHEMBL4170813)
Show SMILES CCC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C24H33NO/c1-4-23(3)19-24(15-17-26-23,22-12-10-20(2)11-13-22)14-16-25-18-21-8-6-5-7-9-21/h5-13,25H,4,14-19H2,1-3H3
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4.18E+4n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378180
PNG
(CHEMBL4166092)
Show SMILES O[C@H](CCN1CCc2onc(c2C1)-c1ccc(F)c(F)c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20F2N2O2/c22-17-7-6-15(12-18(17)23)21-16-13-25(11-9-20(16)27-24-21)10-8-19(26)14-4-2-1-3-5-14/h1-7,12,19,26H,8-11,13H2/t19-/m1/s1
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7.12E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378186
PNG
(CHEMBL4174981)
Show SMILES FC(F)(F)C1(Nc2ccccn2)N=C(N(Cc2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C22H17F3N4O/c23-22(24,25)21(27-18-13-7-8-14-26-18)20(30)29(15-16-9-3-1-4-10-16)19(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27)
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8.45E+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 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378181
PNG
(CHEMBL4166667)
Show SMILES CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C23H24BrNO/c1-17-8-10-19(11-9-17)16-26-23-13-12-22(24)14-21(23)15-25-18(2)20-6-4-3-5-7-20/h3-14,18,25H,15-16H2,1-2H3
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1.96E+5n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378186
PNG
(CHEMBL4174981)
Show SMILES FC(F)(F)C1(Nc2ccccn2)N=C(N(Cc2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C22H17F3N4O/c23-22(24,25)21(27-18-13-7-8-14-26-18)20(30)29(15-16-9-3-1-4-10-16)19(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27)
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2.84E+5n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378180
PNG
(CHEMBL4166092)
Show SMILES O[C@H](CCN1CCc2onc(c2C1)-c1ccc(F)c(F)c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20F2N2O2/c22-17-7-6-15(12-18(17)23)21-16-13-25(11-9-20(16)27-24-21)10-8-19(26)14-4-2-1-3-5-14/h1-7,12,19,26H,8-11,13H2/t19-/m1/s1
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3.30E+5n/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 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair